0s autopkgtest [20:17:54]: starting date and time: 2024-11-15 20:17:54+0000 0s autopkgtest [20:17:54]: git checkout: 6f3be7a8 Fix armhf LXD image generation for plucky 0s autopkgtest [20:17:54]: host juju-7f2275-prod-proposed-migration-environment-9; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.1ebx_r_r/out --timeout-copy=6000 --setup-commands 'ln -s /dev/null /etc/systemd/system/bluetooth.service; printf "http_proxy=http://squid.internal:3128\nhttps_proxy=http://squid.internal:3128\nno_proxy=127.0.0.1,127.0.1.1,login.ubuntu.com,localhost,localdomain,novalocal,internal,archive.ubuntu.com,ports.ubuntu.com,security.ubuntu.com,ddebs.ubuntu.com,changelogs.ubuntu.com,keyserver.ubuntu.com,launchpadlibrarian.net,launchpadcontent.net,launchpad.net,10.24.0.0/24,keystone.ps5.canonical.com,objectstorage.prodstack5.canonical.com\n" >> /etc/environment' --apt-pocket=proposed=src:scikit-learn --apt-upgrade mdanalysis --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 --env=ADT_TEST_TRIGGERS=scikit-learn/1.4.2+dfsg-6build1 -- lxd -r lxd-armhf-10.145.243.240 lxd-armhf-10.145.243.240:autopkgtest/ubuntu/plucky/armhf 52s autopkgtest [20:18:46]: testbed dpkg architecture: armhf 54s autopkgtest [20:18:48]: testbed apt version: 2.9.8 54s autopkgtest [20:18:48]: @@@@@@@@@@@@@@@@@@@@ test bed setup 62s Get:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease [73.9 kB] 62s Get:2 http://ftpmaster.internal/ubuntu plucky-proposed/restricted Sources [7016 B] 62s Get:3 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse Sources [15.5 kB] 62s Get:4 http://ftpmaster.internal/ubuntu plucky-proposed/universe Sources [1043 kB] 63s Get:5 http://ftpmaster.internal/ubuntu plucky-proposed/main Sources [92.2 kB] 63s Get:6 http://ftpmaster.internal/ubuntu plucky-proposed/main armhf Packages [143 kB] 63s Get:7 http://ftpmaster.internal/ubuntu plucky-proposed/universe armhf Packages [747 kB] 63s Get:8 http://ftpmaster.internal/ubuntu plucky-proposed/multiverse armhf Packages [4428 B] 63s Fetched 2126 kB in 1s (1833 kB/s) 63s Reading package lists... 80s tee: /proc/self/fd/2: Permission denied 103s Hit:1 http://ftpmaster.internal/ubuntu plucky-proposed InRelease 103s Hit:2 http://ftpmaster.internal/ubuntu plucky InRelease 103s Hit:3 http://ftpmaster.internal/ubuntu plucky-updates InRelease 103s Hit:4 http://ftpmaster.internal/ubuntu plucky-security InRelease 105s Reading package lists... 105s Reading package lists... 106s Building dependency tree... 106s Reading state information... 106s Calculating upgrade... 107s The following NEW packages will be installed: 107s libassuan9 107s The following packages will be upgraded: 107s libgpgme11t64 libseccomp2 python3-cffi-backend python3-markupsafe 107s 4 upgraded, 1 newly installed, 0 to remove and 0 not upgraded. 107s Need to get 297 kB of archives. 107s After this operation, 224 kB of additional disk space will be used. 107s Get:1 http://ftpmaster.internal/ubuntu plucky/main armhf libseccomp2 armhf 2.5.5-1ubuntu5 [49.3 kB] 107s Get:2 http://ftpmaster.internal/ubuntu plucky/main armhf python3-cffi-backend armhf 1.17.1-2build1 [75.9 kB] 107s Get:3 http://ftpmaster.internal/ubuntu plucky/main armhf libassuan9 armhf 3.0.1-2 [34.3 kB] 107s Get:4 http://ftpmaster.internal/ubuntu plucky/main armhf libgpgme11t64 armhf 1.24.0-2ubuntu1 [125 kB] 108s Get:5 http://ftpmaster.internal/ubuntu plucky/main armhf python3-markupsafe armhf 2.1.5-1build3 [12.5 kB] 108s Fetched 297 kB in 1s (592 kB/s) 108s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 59566 files and directories currently installed.) 108s Preparing to unpack .../libseccomp2_2.5.5-1ubuntu5_armhf.deb ... 108s Unpacking libseccomp2:armhf (2.5.5-1ubuntu5) over (2.5.5-1ubuntu4) ... 108s Setting up libseccomp2:armhf (2.5.5-1ubuntu5) ... 108s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 59566 files and directories currently installed.) 108s Preparing to unpack .../python3-cffi-backend_1.17.1-2build1_armhf.deb ... 108s Unpacking python3-cffi-backend:armhf (1.17.1-2build1) over (1.17.1-2) ... 108s Selecting previously unselected package libassuan9:armhf. 108s Preparing to unpack .../libassuan9_3.0.1-2_armhf.deb ... 108s Unpacking libassuan9:armhf (3.0.1-2) ... 108s Preparing to unpack .../libgpgme11t64_1.24.0-2ubuntu1_armhf.deb ... 108s Unpacking libgpgme11t64:armhf (1.24.0-2ubuntu1) over (1.23.2-5ubuntu4) ... 108s Preparing to unpack .../python3-markupsafe_2.1.5-1build3_armhf.deb ... 109s Unpacking python3-markupsafe (2.1.5-1build3) over (2.1.5-1build2) ... 109s Setting up python3-markupsafe (2.1.5-1build3) ... 109s Setting up libassuan9:armhf (3.0.1-2) ... 109s Setting up libgpgme11t64:armhf (1.24.0-2ubuntu1) ... 109s Setting up python3-cffi-backend:armhf (1.17.1-2build1) ... 109s Processing triggers for libc-bin (2.40-1ubuntu3) ... 109s Reading package lists... 110s Building dependency tree... 110s Reading state information... 111s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 113s autopkgtest [20:19:47]: rebooting testbed after setup commands that affected boot 182s autopkgtest [20:20:56]: testbed running kernel: Linux 6.8.0-48-generic #48~22.04.1-Ubuntu SMP PREEMPT_DYNAMIC Mon Oct 7 11:49:53 UTC 2 208s autopkgtest [20:21:22]: @@@@@@@@@@@@@@@@@@@@ apt-source mdanalysis 223s Get:1 http://ftpmaster.internal/ubuntu plucky/universe mdanalysis 2.7.0-5 (dsc) [2889 B] 223s Get:2 http://ftpmaster.internal/ubuntu plucky/universe mdanalysis 2.7.0-5 (tar) [47.0 MB] 223s Get:3 http://ftpmaster.internal/ubuntu plucky/universe mdanalysis 2.7.0-5 (diff) [10.9 kB] 223s gpgv: Signature made Sat Aug 10 17:37:57 2024 UTC 223s gpgv: using RSA key 23C9A93E585819E9126D0A36573EF1E4BD5A01FA 223s gpgv: issuer "dparsons@debian.org" 223s gpgv: Can't check signature: No public key 223s dpkg-source: warning: cannot verify inline signature for ./mdanalysis_2.7.0-5.dsc: no acceptable signature found 225s autopkgtest [20:21:39]: testing package mdanalysis version 2.7.0-5 227s autopkgtest [20:21:41]: build not needed 232s autopkgtest [20:21:46]: test test-mdanalysis: preparing testbed 242s Reading package lists... 243s Building dependency tree... 243s Reading state information... 243s Starting pkgProblemResolver with broken count: 0 243s Starting 2 pkgProblemResolver with broken count: 0 243s Done 244s The following additional packages will be installed: 244s autoconf automake autopoint autotools-dev blt build-essential cpp cpp-14 244s cpp-14-arm-linux-gnueabihf cpp-arm-linux-gnueabihf cython3 debhelper 244s debugedit dh-autoreconf dh-python dh-strip-nondeterminism docutils-common 244s dwz fontconfig-config fonts-dejavu-core fonts-dejavu-mono fonts-font-awesome 244s fonts-lato fonts-lyx fonts-mathjax fonts-urw-base35 g++ g++-14 244s g++-14-arm-linux-gnueabihf g++-arm-linux-gnueabihf gcc gcc-14 244s gcc-14-arm-linux-gnueabihf gcc-arm-linux-gnueabihf gettext intltool-debian 244s libaec0 libarchive-zip-perl libasan8 libblas3 libc-dev-bin libc6-dev 244s libcairo2 libcc1-0 libcrypt-dev libdebhelper-perl libdeflate0 libexpat1-dev 244s libfile-stripnondeterminism-perl libfontconfig1 libfontenc1 libfreetype6 244s libgcc-14-dev libgfortran5 libgomp1 libgraphite2-3 libharfbuzz0b 244s libhdf5-103-1t64 libhdf5-hl-100t64 libimagequant0 libisl23 libjbig0 244s libjpeg-turbo8 libjpeg8 libjs-jquery libjs-jquery-ui libjs-mathjax 244s libjs-sphinxdoc libjs-underscore libjson-perl liblapack3 liblbfgsb0 244s liblcms2-2 liblerc4 liblzf1 libmpc3 libnetcdf19t64 libopenjp2-7 244s libpixman-1-0 libpython3-all-dev libpython3-dev libpython3.12-dev 244s libpython3.12t64 libqhull-r8.0 libraqm0 libsharpyuv0 libstdc++-14-dev libsz2 244s libtcl8.6 libtiff6 libtk8.6 libtool libubsan1 libwebp7 libwebpdemux2 244s libwebpmux3 libxcb-render0 libxcb-shm0 libxft2 libxrender1 libxslt1.1 244s libxss1 linux-libc-dev m4 po-debconf pybuild-plugin-pyproject 244s python-matplotlib-data python-mdanalysis-doc python3-alabaster python3-all 244s python3-all-dev python3-appdirs python3-biopython python3-brotli 244s python3-build python3-cairo python3-cftime python3-citeproc 244s python3-contourpy python3-cycler python3-dateutil python3-decorator 244s python3-defusedxml python3-dev python3-docutils python3-duecredit 244s python3-fasteners python3-fonttools python3-freetype python3-fs 244s python3-griddataformats python3-gsd python3-h5py python3-h5py-serial 244s python3-hypothesis python3-imagesize python3-iniconfig python3-installer 244s python3-joblib python3-kiwisolver python3-latexcodec python3-looseversion 244s python3-lxml python3-lz4 python3-matplotlib python3-mda-xdrlib 244s python3-mdanalysis python3-mmtf python3-monotonic python3-mpmath 244s python3-mrcfile python3-msgpack python3-msmb-theme python3-netcdf4 244s python3-networkx python3-numpy python3-packaging python3-pandas 244s python3-pandas-lib python3-pil python3-pil.imagetk python3-pluggy 244s python3-pybtex python3-pybtex-docutils python3-pyproject-hooks 244s python3-pytest python3-reportlab python3-rlpycairo python3-roman 244s python3-scipy python3-seaborn python3-six python3-sklearn 244s python3-sklearn-lib python3-snowballstemmer python3-sortedcontainers 244s python3-sphinx python3-sphinx-rtd-theme python3-sphinx-sitemap 244s python3-sphinxcontrib.bibtex python3-sphinxcontrib.jquery python3-sympy 244s python3-threadpoolctl python3-tk python3-toml python3-tqdm python3-tz 244s python3-ufolib2 python3-unicodedata2 python3-wheel python3.12-dev 244s python3.12-tk rpcsvc-proto sgml-base sphinx-common sphinx-rtd-theme-common 244s tk8.6-blt2.5 unicode-data w3c-sgml-lib x11-common xfonts-encodings 244s xfonts-utils xml-core zlib1g-dev 244s Suggested packages: 244s autoconf-archive gnu-standards autoconf-doc blt-demo cpp-doc gcc-14-locales 244s cpp-14-doc cython-doc dh-make flit fonts-freefont-otf | fonts-freefont-ttf 244s fonts-texgyre gcc-14-doc gcc-multilib manpages-dev flex bison gdb gcc-doc 244s gdb-arm-linux-gnueabihf gettext-doc libasprintf-dev libgettextpo-dev 244s libc-devtools glibc-doc libjs-jquery-ui-docs fonts-mathjax-extras fonts-stix 244s libjs-mathjax-doc liblcms2-utils libstdc++-14-doc tcl8.6 tk8.6 libtool-doc 244s gfortran | fortran95-compiler gcj-jdk m4-doc libmail-box-perl bwa clustalo 244s clustalw dialign dssp emboss fasttree mafft muscle3 phylip phyml prank 244s probcons python3-mysqldb python3-rdflib python3-psycopg2 raxml samtools 244s t-coffee wise python3-pip python3-venv python-build-doc python-cycler-doc 244s docutils-doc fonts-linuxlibertine | ttf-linux-libertine texlive-lang-french 244s texlive-latex-base texlive-latex-recommended python-gsd-doc python-h5py-doc 244s python-hypothesis-doc python-installer-doc python-joblib-doc 244s python-latexcodec-doc python-lxml-doc cm-super-minimal dvipng ffmpeg 244s fonts-staypuft ghostscript gir1.2-gtk-3.0 inkscape ipython3 librsvg2-common 244s python-matplotlib-doc python3-cairocffi python3-gi-cairo python3-gobject 244s python3-pyqt5 python3-sip python3-tornado texlive-extra-utils 244s texlive-latex-extra python-mpmath-doc python3-gmpy2 jupyter python3-gdal 244s python3-pydot python3-pygraphviz gfortran python-numpy-doc python-pandas-doc 244s python3-statsmodels python-pil-doc python-pybtex-doc 244s python-pybtex-docutils-doc pdf-viewer python3-egenix-mxtexttools 244s python-reportlab-doc rl-accel rl-renderpm python-scipy-doc python3-dap 244s python-sklearn-doc python3-stemmer python-sortedcontainers-doc dvisvgm 244s fonts-freefont-otf imagemagick-6.q16 latexmk sphinx-doc tex-gyre 244s texlive-fonts-extra texlive-fonts-recommended texlive-plain-generic 244s python-sphinxcontrib.bibtex-doc python-sympy-doc tix python3-tk-dbg 244s python3.13-tk sgml-base-doc 244s Recommended packages: 244s manpages manpages-dev libarchive-cpio-perl javascript-common libjson-xs-perl 244s libltdl-dev libmail-sendmail-perl python-biopython-doc ncbi-blast+ 244s libpaper-utils python3-click python3-simplejson python3-psutil python3-bs4 244s python3-cssselect python3-html5lib python3-bottleneck python3-numexpr 244s python3-odf python3-openpyxl python3-tables python3-olefile 244s fonts-dejavu-extra isympy-common 245s The following NEW packages will be installed: 245s autoconf automake autopkgtest-satdep autopoint autotools-dev blt 245s build-essential cpp cpp-14 cpp-14-arm-linux-gnueabihf 245s cpp-arm-linux-gnueabihf cython3 debhelper debugedit dh-autoreconf dh-python 245s dh-strip-nondeterminism docutils-common dwz fontconfig-config 245s fonts-dejavu-core fonts-dejavu-mono fonts-font-awesome fonts-lato fonts-lyx 245s fonts-mathjax fonts-urw-base35 g++ g++-14 g++-14-arm-linux-gnueabihf 245s g++-arm-linux-gnueabihf gcc gcc-14 gcc-14-arm-linux-gnueabihf 245s gcc-arm-linux-gnueabihf gettext intltool-debian libaec0 libarchive-zip-perl 245s libasan8 libblas3 libc-dev-bin libc6-dev libcairo2 libcc1-0 libcrypt-dev 245s libdebhelper-perl libdeflate0 libexpat1-dev libfile-stripnondeterminism-perl 245s libfontconfig1 libfontenc1 libfreetype6 libgcc-14-dev libgfortran5 libgomp1 245s libgraphite2-3 libharfbuzz0b libhdf5-103-1t64 libhdf5-hl-100t64 245s libimagequant0 libisl23 libjbig0 libjpeg-turbo8 libjpeg8 libjs-jquery 245s libjs-jquery-ui libjs-mathjax libjs-sphinxdoc libjs-underscore libjson-perl 245s liblapack3 liblbfgsb0 liblcms2-2 liblerc4 liblzf1 libmpc3 libnetcdf19t64 245s libopenjp2-7 libpixman-1-0 libpython3-all-dev libpython3-dev 245s libpython3.12-dev libpython3.12t64 libqhull-r8.0 libraqm0 libsharpyuv0 245s libstdc++-14-dev libsz2 libtcl8.6 libtiff6 libtk8.6 libtool libubsan1 245s libwebp7 libwebpdemux2 libwebpmux3 libxcb-render0 libxcb-shm0 libxft2 245s libxrender1 libxslt1.1 libxss1 linux-libc-dev m4 po-debconf 245s pybuild-plugin-pyproject python-matplotlib-data python-mdanalysis-doc 245s python3-alabaster python3-all python3-all-dev python3-appdirs 245s python3-biopython python3-brotli python3-build python3-cairo python3-cftime 245s python3-citeproc python3-contourpy python3-cycler python3-dateutil 245s python3-decorator python3-defusedxml python3-dev python3-docutils 245s python3-duecredit python3-fasteners python3-fonttools python3-freetype 245s python3-fs python3-griddataformats python3-gsd python3-h5py 245s python3-h5py-serial python3-hypothesis python3-imagesize python3-iniconfig 245s python3-installer python3-joblib python3-kiwisolver python3-latexcodec 245s python3-looseversion python3-lxml python3-lz4 python3-matplotlib 245s python3-mda-xdrlib python3-mdanalysis python3-mmtf python3-monotonic 245s python3-mpmath python3-mrcfile python3-msgpack python3-msmb-theme 245s python3-netcdf4 python3-networkx python3-numpy python3-packaging 245s python3-pandas python3-pandas-lib python3-pil python3-pil.imagetk 245s python3-pluggy python3-pybtex python3-pybtex-docutils 245s python3-pyproject-hooks python3-pytest python3-reportlab python3-rlpycairo 245s python3-roman python3-scipy python3-seaborn python3-six python3-sklearn 245s python3-sklearn-lib python3-snowballstemmer python3-sortedcontainers 245s python3-sphinx python3-sphinx-rtd-theme python3-sphinx-sitemap 245s python3-sphinxcontrib.bibtex python3-sphinxcontrib.jquery python3-sympy 245s python3-threadpoolctl python3-tk python3-toml python3-tqdm python3-tz 245s python3-ufolib2 python3-unicodedata2 python3-wheel python3.12-dev 245s python3.12-tk rpcsvc-proto sgml-base sphinx-common sphinx-rtd-theme-common 245s tk8.6-blt2.5 unicode-data w3c-sgml-lib x11-common xfonts-encodings 245s xfonts-utils xml-core zlib1g-dev 245s 0 upgraded, 205 newly installed, 0 to remove and 0 not upgraded. 245s Need to get 190 MB/190 MB of archives. 245s After this operation, 740 MB of additional disk space will be used. 245s Get:1 /tmp/autopkgtest.nyWww9/1-autopkgtest-satdep.deb autopkgtest-satdep armhf 0 [1016 B] 245s Get:2 http://ftpmaster.internal/ubuntu plucky/main armhf fonts-lato all 2.015-1 [2781 kB] 245s Get:3 http://ftpmaster.internal/ubuntu plucky/main armhf sgml-base all 1.31 [11.4 kB] 245s Get:4 http://ftpmaster.internal/ubuntu plucky/main armhf m4 armhf 1.4.19-4build1 [235 kB] 245s Get:5 http://ftpmaster.internal/ubuntu plucky/main armhf autoconf all 2.72-3 [382 kB] 245s Get:6 http://ftpmaster.internal/ubuntu plucky/main armhf autotools-dev all 20220109.1 [44.9 kB] 245s Get:7 http://ftpmaster.internal/ubuntu plucky/main armhf automake all 1:1.16.5-1.3ubuntu1 [558 kB] 245s Get:8 http://ftpmaster.internal/ubuntu plucky/main armhf autopoint all 0.22.5-2 [616 kB] 245s Get:9 http://ftpmaster.internal/ubuntu plucky/main armhf libtcl8.6 armhf 8.6.15+dfsg-2 [909 kB] 245s Get:10 http://ftpmaster.internal/ubuntu plucky/main armhf libfreetype6 armhf 2.13.3+dfsg-1 [330 kB] 245s Get:11 http://ftpmaster.internal/ubuntu plucky/main armhf fonts-dejavu-mono all 2.37-8 [502 kB] 245s Get:12 http://ftpmaster.internal/ubuntu plucky/main armhf fonts-dejavu-core all 2.37-8 [835 kB] 245s Get:13 http://ftpmaster.internal/ubuntu plucky/main armhf libfontenc1 armhf 1:1.1.8-1build1 [11.5 kB] 245s Get:14 http://ftpmaster.internal/ubuntu plucky/main armhf x11-common all 1:7.7+23ubuntu3 [21.7 kB] 245s Get:15 http://ftpmaster.internal/ubuntu plucky/main armhf xfonts-encodings all 1:1.0.5-0ubuntu2 [578 kB] 245s Get:16 http://ftpmaster.internal/ubuntu plucky/main armhf xfonts-utils armhf 1:7.7+7 [90.6 kB] 245s Get:17 http://ftpmaster.internal/ubuntu plucky/main armhf fonts-urw-base35 all 20200910-8 [11.0 MB] 246s Get:18 http://ftpmaster.internal/ubuntu plucky/main armhf fontconfig-config armhf 2.15.0-1.1ubuntu2 [37.4 kB] 246s Get:19 http://ftpmaster.internal/ubuntu plucky/main armhf libfontconfig1 armhf 2.15.0-1.1ubuntu2 [113 kB] 246s Get:20 http://ftpmaster.internal/ubuntu plucky/main armhf libxrender1 armhf 1:0.9.10-1.1build1 [16.0 kB] 246s Get:21 http://ftpmaster.internal/ubuntu plucky/main armhf libxft2 armhf 2.3.6-1build1 [37.4 kB] 246s Get:22 http://ftpmaster.internal/ubuntu plucky/main armhf libxss1 armhf 1:1.2.3-1build3 [6500 B] 246s Get:23 http://ftpmaster.internal/ubuntu plucky/main armhf libtk8.6 armhf 8.6.15-1 [685 kB] 246s Get:24 http://ftpmaster.internal/ubuntu plucky/main armhf tk8.6-blt2.5 armhf 2.5.3+dfsg-7build1 [525 kB] 246s Get:25 http://ftpmaster.internal/ubuntu plucky/main armhf blt armhf 2.5.3+dfsg-7build1 [4840 B] 246s Get:26 http://ftpmaster.internal/ubuntu plucky/main armhf libc-dev-bin armhf 2.40-1ubuntu3 [19.2 kB] 246s Get:27 http://ftpmaster.internal/ubuntu plucky/main armhf linux-libc-dev armhf 6.11.0-8.8 [1628 kB] 246s Get:28 http://ftpmaster.internal/ubuntu plucky/main armhf libcrypt-dev armhf 1:4.4.36-4build1 [120 kB] 246s Get:29 http://ftpmaster.internal/ubuntu plucky/main armhf rpcsvc-proto armhf 1.4.2-0ubuntu7 [62.2 kB] 246s Get:30 http://ftpmaster.internal/ubuntu plucky/main armhf libc6-dev armhf 2.40-1ubuntu3 [1370 kB] 246s Get:31 http://ftpmaster.internal/ubuntu plucky/main armhf libisl23 armhf 0.27-1 [546 kB] 246s Get:32 http://ftpmaster.internal/ubuntu plucky/main armhf libmpc3 armhf 1.3.1-1build2 [47.1 kB] 246s Get:33 http://ftpmaster.internal/ubuntu plucky/main armhf cpp-14-arm-linux-gnueabihf armhf 14.2.0-8ubuntu1 [9219 kB] 246s Get:34 http://ftpmaster.internal/ubuntu plucky/main armhf cpp-14 armhf 14.2.0-8ubuntu1 [1032 B] 246s Get:35 http://ftpmaster.internal/ubuntu plucky/main armhf cpp-arm-linux-gnueabihf armhf 4:14.1.0-2ubuntu1 [5464 B] 246s Get:36 http://ftpmaster.internal/ubuntu plucky/main armhf cpp armhf 4:14.1.0-2ubuntu1 [22.4 kB] 246s Get:37 http://ftpmaster.internal/ubuntu plucky/main armhf libcc1-0 armhf 14.2.0-8ubuntu1 [43.3 kB] 246s Get:38 http://ftpmaster.internal/ubuntu plucky/main armhf libgomp1 armhf 14.2.0-8ubuntu1 [125 kB] 246s Get:39 http://ftpmaster.internal/ubuntu plucky/main armhf libasan8 armhf 14.2.0-8ubuntu1 [2901 kB] 246s Get:40 http://ftpmaster.internal/ubuntu plucky/main armhf libubsan1 armhf 14.2.0-8ubuntu1 [1150 kB] 246s Get:41 http://ftpmaster.internal/ubuntu plucky/main armhf libgcc-14-dev armhf 14.2.0-8ubuntu1 [897 kB] 246s Get:42 http://ftpmaster.internal/ubuntu plucky/main armhf gcc-14-arm-linux-gnueabihf armhf 14.2.0-8ubuntu1 [18.0 MB] 247s Get:43 http://ftpmaster.internal/ubuntu plucky/main armhf gcc-14 armhf 14.2.0-8ubuntu1 [498 kB] 247s Get:44 http://ftpmaster.internal/ubuntu plucky/main armhf gcc-arm-linux-gnueabihf armhf 4:14.1.0-2ubuntu1 [1222 B] 247s Get:45 http://ftpmaster.internal/ubuntu plucky/main armhf gcc armhf 4:14.1.0-2ubuntu1 [5002 B] 247s Get:46 http://ftpmaster.internal/ubuntu plucky/main armhf libstdc++-14-dev armhf 14.2.0-8ubuntu1 [2569 kB] 247s Get:47 http://ftpmaster.internal/ubuntu plucky/main armhf g++-14-arm-linux-gnueabihf armhf 14.2.0-8ubuntu1 [10.5 MB] 247s Get:48 http://ftpmaster.internal/ubuntu plucky/main armhf g++-14 armhf 14.2.0-8ubuntu1 [19.9 kB] 247s Get:49 http://ftpmaster.internal/ubuntu plucky/main armhf g++-arm-linux-gnueabihf armhf 4:14.1.0-2ubuntu1 [968 B] 247s Get:50 http://ftpmaster.internal/ubuntu plucky/main armhf g++ armhf 4:14.1.0-2ubuntu1 [1084 B] 247s Get:51 http://ftpmaster.internal/ubuntu plucky/main armhf build-essential armhf 12.10ubuntu1 [4928 B] 247s Get:52 http://ftpmaster.internal/ubuntu plucky/universe armhf cython3 armhf 3.0.11+dfsg-1ubuntu2 [3061 kB] 247s Get:53 http://ftpmaster.internal/ubuntu plucky/main armhf libdebhelper-perl all 13.20ubuntu1 [94.2 kB] 247s Get:54 http://ftpmaster.internal/ubuntu plucky/main armhf libtool all 2.4.7-7build1 [166 kB] 247s Get:55 http://ftpmaster.internal/ubuntu plucky/main armhf dh-autoreconf all 20 [16.1 kB] 247s Get:56 http://ftpmaster.internal/ubuntu plucky/main armhf libarchive-zip-perl all 1.68-1 [90.2 kB] 247s Get:57 http://ftpmaster.internal/ubuntu plucky/main armhf libfile-stripnondeterminism-perl all 1.14.0-1 [20.1 kB] 247s Get:58 http://ftpmaster.internal/ubuntu plucky/main armhf dh-strip-nondeterminism all 1.14.0-1 [5058 B] 247s Get:59 http://ftpmaster.internal/ubuntu plucky/main armhf debugedit armhf 1:5.1-1 [46.5 kB] 247s Get:60 http://ftpmaster.internal/ubuntu plucky/main armhf dwz armhf 0.15-1build6 [116 kB] 247s Get:61 http://ftpmaster.internal/ubuntu plucky/main armhf gettext armhf 0.22.5-2 [995 kB] 247s Get:62 http://ftpmaster.internal/ubuntu plucky/main armhf intltool-debian all 0.35.0+20060710.6 [23.2 kB] 247s Get:63 http://ftpmaster.internal/ubuntu plucky/main armhf po-debconf all 1.0.21+nmu1 [233 kB] 247s Get:64 http://ftpmaster.internal/ubuntu plucky/main armhf debhelper all 13.20ubuntu1 [893 kB] 247s Get:65 http://ftpmaster.internal/ubuntu plucky/universe armhf dh-python all 6.20241024 [112 kB] 247s Get:66 http://ftpmaster.internal/ubuntu plucky/main armhf xml-core all 0.19 [20.3 kB] 247s Get:67 http://ftpmaster.internal/ubuntu plucky/main armhf docutils-common all 0.21.2+dfsg-2 [131 kB] 247s Get:68 http://ftpmaster.internal/ubuntu plucky/main armhf fonts-font-awesome all 5.0.10+really4.7.0~dfsg-4.1 [516 kB] 247s Get:69 http://ftpmaster.internal/ubuntu plucky/universe armhf fonts-lyx all 2.4.2.1-1 [171 kB] 247s Get:70 http://ftpmaster.internal/ubuntu plucky/main armhf fonts-mathjax all 2.7.9+dfsg-1 [2208 kB] 247s Get:71 http://ftpmaster.internal/ubuntu plucky/universe armhf libaec0 armhf 1.1.3-1 [20.8 kB] 247s Get:72 http://ftpmaster.internal/ubuntu plucky/main armhf libblas3 armhf 3.12.0-3build2 [126 kB] 247s Get:73 http://ftpmaster.internal/ubuntu plucky/main armhf libpixman-1-0 armhf 0.44.0-3 [183 kB] 247s Get:74 http://ftpmaster.internal/ubuntu plucky/main armhf libxcb-render0 armhf 1.17.0-2 [15.3 kB] 247s Get:75 http://ftpmaster.internal/ubuntu plucky/main armhf libxcb-shm0 armhf 1.17.0-2 [5774 B] 247s Get:76 http://ftpmaster.internal/ubuntu plucky/main armhf libcairo2 armhf 1.18.2-2 [484 kB] 247s Get:77 http://ftpmaster.internal/ubuntu plucky/main armhf libdeflate0 armhf 1.22-1 [38.9 kB] 247s Get:78 http://ftpmaster.internal/ubuntu plucky/main armhf libexpat1-dev armhf 2.6.4-1 [121 kB] 247s Get:79 http://ftpmaster.internal/ubuntu plucky/main armhf libgfortran5 armhf 14.2.0-8ubuntu1 [311 kB] 248s Get:80 http://ftpmaster.internal/ubuntu plucky/main armhf libgraphite2-3 armhf 1.3.14-2ubuntu1 [64.8 kB] 248s Get:81 http://ftpmaster.internal/ubuntu plucky/main armhf libharfbuzz0b armhf 10.0.1-1 [463 kB] 248s Get:82 http://ftpmaster.internal/ubuntu plucky/universe armhf libsz2 armhf 1.1.3-1 [5302 B] 248s Get:83 http://ftpmaster.internal/ubuntu plucky/universe armhf libhdf5-103-1t64 armhf 1.10.10+repack-4ubuntu3 [1327 kB] 248s Get:84 http://ftpmaster.internal/ubuntu plucky/universe armhf libhdf5-hl-100t64 armhf 1.10.10+repack-4ubuntu3 [55.9 kB] 248s Get:85 http://ftpmaster.internal/ubuntu plucky/main armhf libimagequant0 armhf 2.18.0-1build1 [31.1 kB] 248s Get:86 http://ftpmaster.internal/ubuntu plucky/main armhf libjpeg-turbo8 armhf 2.1.5-2ubuntu2 [125 kB] 248s Get:87 http://ftpmaster.internal/ubuntu plucky/main armhf libjpeg8 armhf 8c-2ubuntu11 [2148 B] 248s Get:88 http://ftpmaster.internal/ubuntu plucky/main armhf libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [328 kB] 248s Get:89 http://ftpmaster.internal/ubuntu plucky/universe armhf libjs-jquery-ui all 1.13.2+dfsg-1 [252 kB] 248s Get:90 http://ftpmaster.internal/ubuntu plucky/main armhf libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [118 kB] 248s Get:91 http://ftpmaster.internal/ubuntu plucky/main armhf libjs-sphinxdoc all 7.4.7-4 [158 kB] 248s Get:92 http://ftpmaster.internal/ubuntu plucky/main armhf libjson-perl all 4.10000-1 [81.9 kB] 248s Get:93 http://ftpmaster.internal/ubuntu plucky/main armhf liblapack3 armhf 3.12.0-3build2 [2086 kB] 248s Get:94 http://ftpmaster.internal/ubuntu plucky/universe armhf liblbfgsb0 armhf 3.0+dfsg.4-1build1 [27.4 kB] 248s Get:95 http://ftpmaster.internal/ubuntu plucky/main armhf liblcms2-2 armhf 2.16-2 [137 kB] 248s Get:96 http://ftpmaster.internal/ubuntu plucky/main armhf liblerc4 armhf 4.0.0+ds-4ubuntu2 [151 kB] 248s Get:97 http://ftpmaster.internal/ubuntu plucky/universe armhf liblzf1 armhf 3.6-4 [6554 B] 248s Get:98 http://ftpmaster.internal/ubuntu plucky/universe armhf libnetcdf19t64 armhf 1:4.9.2-6ubuntu1 [419 kB] 248s Get:99 http://ftpmaster.internal/ubuntu plucky/main armhf libpython3.12t64 armhf 3.12.7-3 [2075 kB] 248s Get:100 http://ftpmaster.internal/ubuntu plucky/main armhf zlib1g-dev armhf 1:1.3.dfsg+really1.3.1-1ubuntu1 [880 kB] 248s Get:101 http://ftpmaster.internal/ubuntu plucky/main armhf libpython3.12-dev armhf 3.12.7-3 [4344 kB] 248s Get:102 http://ftpmaster.internal/ubuntu plucky/main armhf libpython3-dev armhf 3.12.6-0ubuntu1 [10.2 kB] 248s Get:103 http://ftpmaster.internal/ubuntu plucky/main armhf libpython3-all-dev armhf 3.12.6-0ubuntu1 [914 B] 248s Get:104 http://ftpmaster.internal/ubuntu plucky/universe armhf libqhull-r8.0 armhf 2020.2-6build1 [173 kB] 248s Get:105 http://ftpmaster.internal/ubuntu plucky/main armhf libraqm0 armhf 0.10.1-1build1 [12.4 kB] 248s Get:106 http://ftpmaster.internal/ubuntu plucky/main armhf libsharpyuv0 armhf 1.4.0-0.1 [16.3 kB] 248s Get:107 http://ftpmaster.internal/ubuntu plucky/main armhf libjbig0 armhf 2.1-6.1ubuntu2 [24.9 kB] 248s Get:108 http://ftpmaster.internal/ubuntu plucky/main armhf libwebp7 armhf 1.4.0-0.1 [184 kB] 249s Get:109 http://ftpmaster.internal/ubuntu plucky/main armhf libtiff6 armhf 4.5.1+git230720-4ubuntu4 [179 kB] 249s Get:110 http://ftpmaster.internal/ubuntu plucky/main armhf libwebpdemux2 armhf 1.4.0-0.1 [11.8 kB] 249s Get:111 http://ftpmaster.internal/ubuntu plucky/main armhf libwebpmux3 armhf 1.4.0-0.1 [22.5 kB] 249s Get:112 http://ftpmaster.internal/ubuntu plucky/main armhf libxslt1.1 armhf 1.1.39-0exp1ubuntu1 [150 kB] 249s Get:113 http://ftpmaster.internal/ubuntu plucky/main armhf python3-packaging all 24.1-1 [41.4 kB] 249s Get:114 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-pyproject-hooks all 1.2.0-1 [10.2 kB] 249s Get:115 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-toml all 0.10.2-1 [16.5 kB] 249s Get:116 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-wheel all 0.44.0-1 [54.2 kB] 249s Get:117 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-build all 1.2.2-1 [31.0 kB] 249s Get:118 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-installer all 0.7.0+dfsg1-3 [17.4 kB] 249s Get:119 http://ftpmaster.internal/ubuntu plucky/universe armhf pybuild-plugin-pyproject all 6.20241024 [1728 B] 249s Get:120 http://ftpmaster.internal/ubuntu plucky/universe armhf python-matplotlib-data all 3.8.3-3 [2928 kB] 250s Get:121 http://ftpmaster.internal/ubuntu plucky/main armhf libjs-mathjax all 2.7.9+dfsg-1 [5665 kB] 250s Get:122 http://ftpmaster.internal/ubuntu plucky/universe armhf python-mdanalysis-doc all 2.7.0-5 [2323 kB] 251s Get:123 http://ftpmaster.internal/ubuntu plucky/main armhf python3-all armhf 3.12.6-0ubuntu1 [886 B] 251s Get:124 http://ftpmaster.internal/ubuntu plucky/main armhf python3.12-dev armhf 3.12.7-3 [505 kB] 251s Get:125 http://ftpmaster.internal/ubuntu plucky/main armhf python3-dev armhf 3.12.6-0ubuntu1 [26.7 kB] 251s Get:126 http://ftpmaster.internal/ubuntu plucky/main armhf python3-all-dev armhf 3.12.6-0ubuntu1 [908 B] 251s Get:127 http://ftpmaster.internal/ubuntu plucky/main armhf python3-appdirs all 1.4.4-4 [10.9 kB] 251s Get:128 http://ftpmaster.internal/ubuntu plucky/main armhf python3-numpy armhf 1:1.26.4+ds-11build1 [3570 kB] 251s Get:129 http://ftpmaster.internal/ubuntu plucky/main armhf python3.12-tk armhf 3.12.7-3 [112 kB] 251s Get:130 http://ftpmaster.internal/ubuntu plucky/main armhf python3-tk armhf 3.12.6-1ubuntu1 [9806 B] 251s Get:131 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-pil.imagetk armhf 10.4.0-1ubuntu1 [8848 B] 251s Get:132 http://ftpmaster.internal/ubuntu plucky/main armhf libopenjp2-7 armhf 2.5.0-2ubuntu1 [170 kB] 251s Get:133 http://ftpmaster.internal/ubuntu plucky/main armhf python3-pil armhf 10.4.0-1ubuntu1 [428 kB] 251s Get:134 http://ftpmaster.internal/ubuntu plucky/main armhf python3-cairo armhf 1.26.1-2 [114 kB] 251s Get:135 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-freetype all 2.5.1-1 [92.3 kB] 251s Get:136 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-rlpycairo all 0.3.0-3 [9130 B] 251s Get:137 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-reportlab all 4.2.5-1 [1107 kB] 251s Get:138 http://ftpmaster.internal/ubuntu plucky/universe armhf w3c-sgml-lib all 1.3-3 [280 kB] 251s Get:139 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-biopython armhf 1.84+dfsg-4 [1666 kB] 251s Get:140 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-brotli armhf 1.1.0-2build2 [321 kB] 251s Get:141 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-cftime armhf 1.6.4-1 [202 kB] 251s Get:142 http://ftpmaster.internal/ubuntu plucky/main armhf python3-lxml armhf 5.3.0-1 [1234 kB] 251s Get:143 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-citeproc all 0.6.0-3 [98.4 kB] 251s Get:144 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-contourpy armhf 1.3.0-2build1 [238 kB] 251s Get:145 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-cycler all 0.12.1-1 [9716 B] 251s Get:146 http://ftpmaster.internal/ubuntu plucky/main armhf python3-six all 1.16.0-7 [13.1 kB] 251s Get:147 http://ftpmaster.internal/ubuntu plucky/main armhf python3-dateutil all 2.9.0-2 [80.3 kB] 251s Get:148 http://ftpmaster.internal/ubuntu plucky/main armhf python3-decorator all 5.1.1-5 [10.1 kB] 251s Get:149 http://ftpmaster.internal/ubuntu plucky/main armhf python3-defusedxml all 0.7.1-2 [42.0 kB] 251s Get:150 http://ftpmaster.internal/ubuntu plucky/main armhf python3-roman all 4.2-1 [10.0 kB] 251s Get:151 http://ftpmaster.internal/ubuntu plucky/main armhf python3-docutils all 0.21.2+dfsg-2 [409 kB] 252s Get:152 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-looseversion all 1.3.0-3 [8354 B] 252s Get:153 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-duecredit all 0.10.2-2 [66.0 kB] 252s Get:154 http://ftpmaster.internal/ubuntu plucky/main armhf python3-monotonic all 1.6-2 [5732 B] 252s Get:155 http://ftpmaster.internal/ubuntu plucky/main armhf python3-fasteners all 0.18-2 [12.5 kB] 252s Get:156 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-scipy armhf 1.13.1-5 [16.4 MB] 252s Get:157 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-ufolib2 all 0.16.1+dfsg1-1 [33.4 kB] 252s Get:158 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-mpmath all 1.3.0-1 [425 kB] 252s Get:159 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-sympy all 1.13.3-1 [4228 kB] 252s Get:160 http://ftpmaster.internal/ubuntu plucky/main armhf python3-tz all 2024.1-2 [31.4 kB] 252s Get:161 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-fs all 2.4.16-4 [91.3 kB] 252s Get:162 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-lz4 armhf 4.0.2+dfsg-1build4 [24.8 kB] 252s Get:163 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-unicodedata2 armhf 15.1.0+ds-1build2 [357 kB] 252s Get:164 http://ftpmaster.internal/ubuntu plucky/universe armhf unicode-data all 15.1.0-1 [8878 kB] 253s Get:165 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-fonttools armhf 4.46.0-1build2 [1402 kB] 253s Get:166 http://ftpmaster.internal/ubuntu plucky/main armhf sphinx-rtd-theme-common all 3.0.1+dfsg-1 [1012 kB] 253s Get:167 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-mrcfile all 1.5.3-3 [114 kB] 253s Get:168 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-griddataformats all 1.0.2-2 [2107 kB] 253s Get:169 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-gsd armhf 3.3.0-1 [197 kB] 253s Get:170 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-h5py-serial armhf 3.11.0-5ubuntu1 [1061 kB] 253s Get:171 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-h5py all 3.11.0-5ubuntu1 [7974 B] 253s Get:172 http://ftpmaster.internal/ubuntu plucky/main armhf python3-sortedcontainers all 2.4.0-2 [27.6 kB] 253s Get:173 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-hypothesis all 6.116.0-1 [326 kB] 253s Get:174 http://ftpmaster.internal/ubuntu plucky/main armhf python3-imagesize all 1.4.1-1 [6844 B] 253s Get:175 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-iniconfig all 1.1.1-2 [6024 B] 253s Get:176 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-joblib all 1.3.2-5 [206 kB] 253s Get:177 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-kiwisolver armhf 1.4.7-2build1 [71.1 kB] 253s Get:178 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-latexcodec all 3.0.0-1 [16.6 kB] 253s Get:179 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-matplotlib armhf 3.8.3-3 [4500 kB] 253s Get:180 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-mda-xdrlib all 0.2.0-3 [11.4 kB] 253s Get:181 http://ftpmaster.internal/ubuntu plucky/main armhf python3-msgpack armhf 1.0.3-3build2 [76.1 kB] 253s Get:182 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-mmtf all 1.1.3-1 [16.2 kB] 253s Get:183 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-threadpoolctl all 3.1.0-1 [21.3 kB] 253s Get:184 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-tqdm all 4.67.0-1 [91.6 kB] 253s Get:185 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-mdanalysis armhf 2.7.0-5 [1882 kB] 253s Get:186 http://ftpmaster.internal/ubuntu plucky/main armhf sphinx-common all 7.4.7-4 [775 kB] 253s Get:187 http://ftpmaster.internal/ubuntu plucky/main armhf python3-alabaster all 0.7.16-0.1 [18.5 kB] 253s Get:188 http://ftpmaster.internal/ubuntu plucky/main armhf python3-snowballstemmer all 2.2.0-4build1 [59.8 kB] 253s Get:189 http://ftpmaster.internal/ubuntu plucky/main armhf python3-sphinx all 7.4.7-4 [593 kB] 253s Get:190 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-sphinxcontrib.jquery all 4.1-5 [6678 B] 253s Get:191 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-sphinx-rtd-theme all 3.0.1+dfsg-1 [23.5 kB] 253s Get:192 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-msmb-theme all 1.2.0-4 [35.4 kB] 253s Get:193 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-netcdf4 armhf 1.7.2-1 [589 kB] 253s Get:194 http://ftpmaster.internal/ubuntu plucky/main armhf python3-networkx all 3.2.1-4ubuntu1 [11.5 MB] 254s Get:195 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-pandas-lib armhf 2.2.3+dfsg-5 [4728 kB] 254s Get:196 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-pandas all 2.2.3+dfsg-5 [3112 kB] 254s Get:197 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-pluggy all 1.5.0-1 [21.0 kB] 254s Get:198 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-pybtex all 0.24.0-4 [70.0 kB] 254s Get:199 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-pybtex-docutils all 1.0.2-1 [7176 B] 254s Get:200 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-pytest all 8.3.3-1 [251 kB] 254s Get:201 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-seaborn all 0.13.2-4 [225 kB] 254s Get:202 http://ftpmaster.internal/ubuntu plucky-proposed/universe armhf python3-sklearn-lib armhf 1.4.2+dfsg-6build1 [6321 kB] 254s Get:203 http://ftpmaster.internal/ubuntu plucky-proposed/universe armhf python3-sklearn all 1.4.2+dfsg-6build1 [2257 kB] 254s Get:204 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-sphinx-sitemap all 2.6.0-1 [6674 B] 254s Get:205 http://ftpmaster.internal/ubuntu plucky/universe armhf python3-sphinxcontrib.bibtex all 2.6.2-1 [25.2 kB] 255s Fetched 190 MB in 10s (19.8 MB/s) 255s Selecting previously unselected package fonts-lato. 255s (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 59573 files and directories currently installed.) 255s Preparing to unpack .../000-fonts-lato_2.015-1_all.deb ... 255s Unpacking fonts-lato (2.015-1) ... 255s Selecting previously unselected package sgml-base. 255s Preparing to unpack .../001-sgml-base_1.31_all.deb ... 255s Unpacking sgml-base (1.31) ... 255s Selecting previously unselected package m4. 255s Preparing to unpack .../002-m4_1.4.19-4build1_armhf.deb ... 255s Unpacking m4 (1.4.19-4build1) ... 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(1:1.3.dfsg+really1.3.1-1ubuntu1) ... 264s Selecting previously unselected package libpython3.12-dev:armhf. 264s Preparing to unpack .../099-libpython3.12-dev_3.12.7-3_armhf.deb ... 264s Unpacking libpython3.12-dev:armhf (3.12.7-3) ... 264s Selecting previously unselected package libpython3-dev:armhf. 264s Preparing to unpack .../100-libpython3-dev_3.12.6-0ubuntu1_armhf.deb ... 264s Unpacking libpython3-dev:armhf (3.12.6-0ubuntu1) ... 264s Selecting previously unselected package libpython3-all-dev:armhf. 264s Preparing to unpack .../101-libpython3-all-dev_3.12.6-0ubuntu1_armhf.deb ... 264s Unpacking libpython3-all-dev:armhf (3.12.6-0ubuntu1) ... 264s Selecting previously unselected package libqhull-r8.0:armhf. 265s Preparing to unpack .../102-libqhull-r8.0_2020.2-6build1_armhf.deb ... 265s Unpacking libqhull-r8.0:armhf (2020.2-6build1) ... 265s Selecting previously unselected package libraqm0:armhf. 265s Preparing to unpack .../103-libraqm0_0.10.1-1build1_armhf.deb ... 265s Unpacking libraqm0:armhf (0.10.1-1build1) ... 265s Selecting previously unselected package libsharpyuv0:armhf. 265s Preparing to unpack .../104-libsharpyuv0_1.4.0-0.1_armhf.deb ... 265s Unpacking libsharpyuv0:armhf (1.4.0-0.1) ... 265s Selecting previously unselected package libjbig0:armhf. 265s Preparing to unpack .../105-libjbig0_2.1-6.1ubuntu2_armhf.deb ... 265s Unpacking libjbig0:armhf (2.1-6.1ubuntu2) ... 265s Selecting previously unselected package libwebp7:armhf. 265s Preparing to unpack .../106-libwebp7_1.4.0-0.1_armhf.deb ... 265s Unpacking libwebp7:armhf (1.4.0-0.1) ... 265s Selecting previously unselected package libtiff6:armhf. 265s Preparing to unpack .../107-libtiff6_4.5.1+git230720-4ubuntu4_armhf.deb ... 265s Unpacking libtiff6:armhf (4.5.1+git230720-4ubuntu4) ... 265s Selecting previously unselected package libwebpdemux2:armhf. 265s Preparing to unpack .../108-libwebpdemux2_1.4.0-0.1_armhf.deb ... 265s Unpacking libwebpdemux2:armhf (1.4.0-0.1) ... 265s Selecting previously unselected package libwebpmux3:armhf. 265s Preparing to unpack .../109-libwebpmux3_1.4.0-0.1_armhf.deb ... 265s Unpacking libwebpmux3:armhf (1.4.0-0.1) ... 265s Selecting previously unselected package libxslt1.1:armhf. 265s Preparing to unpack .../110-libxslt1.1_1.1.39-0exp1ubuntu1_armhf.deb ... 265s Unpacking libxslt1.1:armhf (1.1.39-0exp1ubuntu1) ... 265s Selecting previously unselected package python3-packaging. 265s Preparing to unpack .../111-python3-packaging_24.1-1_all.deb ... 265s Unpacking python3-packaging (24.1-1) ... 265s Selecting previously unselected package python3-pyproject-hooks. 265s Preparing to unpack .../112-python3-pyproject-hooks_1.2.0-1_all.deb ... 265s Unpacking python3-pyproject-hooks (1.2.0-1) ... 265s Selecting previously unselected package python3-toml. 265s Preparing to unpack .../113-python3-toml_0.10.2-1_all.deb ... 265s Unpacking python3-toml (0.10.2-1) ... 265s Selecting previously unselected package python3-wheel. 265s Preparing to unpack .../114-python3-wheel_0.44.0-1_all.deb ... 265s Unpacking python3-wheel (0.44.0-1) ... 265s Selecting previously unselected package python3-build. 265s Preparing to unpack .../115-python3-build_1.2.2-1_all.deb ... 265s Unpacking python3-build (1.2.2-1) ... 265s Selecting previously unselected package python3-installer. 265s Preparing to unpack .../116-python3-installer_0.7.0+dfsg1-3_all.deb ... 265s Unpacking python3-installer (0.7.0+dfsg1-3) ... 265s Selecting previously unselected package pybuild-plugin-pyproject. 265s Preparing to unpack .../117-pybuild-plugin-pyproject_6.20241024_all.deb ... 265s Unpacking pybuild-plugin-pyproject (6.20241024) ... 265s Selecting previously unselected package python-matplotlib-data. 265s Preparing to unpack .../118-python-matplotlib-data_3.8.3-3_all.deb ... 265s Unpacking python-matplotlib-data (3.8.3-3) ... 265s Selecting previously unselected package libjs-mathjax. 266s Preparing to unpack .../119-libjs-mathjax_2.7.9+dfsg-1_all.deb ... 266s Unpacking libjs-mathjax (2.7.9+dfsg-1) ... 267s Selecting previously unselected package python-mdanalysis-doc. 267s Preparing to unpack .../120-python-mdanalysis-doc_2.7.0-5_all.deb ... 267s Unpacking python-mdanalysis-doc (2.7.0-5) ... 267s Selecting previously unselected package python3-all. 267s Preparing to unpack .../121-python3-all_3.12.6-0ubuntu1_armhf.deb ... 267s Unpacking python3-all (3.12.6-0ubuntu1) ... 267s Selecting previously unselected package python3.12-dev. 267s Preparing to unpack .../122-python3.12-dev_3.12.7-3_armhf.deb ... 267s Unpacking python3.12-dev (3.12.7-3) ... 267s Selecting previously unselected package python3-dev. 267s Preparing to unpack .../123-python3-dev_3.12.6-0ubuntu1_armhf.deb ... 267s Unpacking python3-dev (3.12.6-0ubuntu1) ... 267s Selecting previously unselected package python3-all-dev. 267s Preparing to unpack .../124-python3-all-dev_3.12.6-0ubuntu1_armhf.deb ... 267s Unpacking python3-all-dev (3.12.6-0ubuntu1) ... 267s Selecting previously unselected package python3-appdirs. 267s Preparing to unpack .../125-python3-appdirs_1.4.4-4_all.deb ... 267s Unpacking python3-appdirs (1.4.4-4) ... 267s Selecting previously unselected package python3-numpy. 267s Preparing to unpack .../126-python3-numpy_1%3a1.26.4+ds-11build1_armhf.deb ... 267s Unpacking python3-numpy (1:1.26.4+ds-11build1) ... 267s Selecting previously unselected package python3.12-tk. 267s Preparing to unpack .../127-python3.12-tk_3.12.7-3_armhf.deb ... 267s Unpacking python3.12-tk (3.12.7-3) ... 267s Selecting previously unselected package python3-tk:armhf. 267s Preparing to unpack .../128-python3-tk_3.12.6-1ubuntu1_armhf.deb ... 267s Unpacking python3-tk:armhf (3.12.6-1ubuntu1) ... 267s Selecting previously unselected package python3-pil.imagetk:armhf. 268s Preparing to unpack .../129-python3-pil.imagetk_10.4.0-1ubuntu1_armhf.deb ... 268s Unpacking python3-pil.imagetk:armhf (10.4.0-1ubuntu1) ... 268s Selecting previously unselected package libopenjp2-7:armhf. 268s Preparing to unpack .../130-libopenjp2-7_2.5.0-2ubuntu1_armhf.deb ... 268s Unpacking libopenjp2-7:armhf (2.5.0-2ubuntu1) ... 268s Selecting previously unselected package python3-pil:armhf. 268s Preparing to unpack .../131-python3-pil_10.4.0-1ubuntu1_armhf.deb ... 268s Unpacking python3-pil:armhf (10.4.0-1ubuntu1) ... 268s Selecting previously unselected package python3-cairo. 268s Preparing to unpack .../132-python3-cairo_1.26.1-2_armhf.deb ... 268s Unpacking python3-cairo (1.26.1-2) ... 268s Selecting previously unselected package python3-freetype. 268s Preparing to unpack .../133-python3-freetype_2.5.1-1_all.deb ... 268s Unpacking python3-freetype (2.5.1-1) ... 268s Selecting previously unselected package python3-rlpycairo. 268s Preparing to unpack .../134-python3-rlpycairo_0.3.0-3_all.deb ... 268s Unpacking python3-rlpycairo (0.3.0-3) ... 268s Selecting previously unselected package python3-reportlab. 268s Preparing to unpack .../135-python3-reportlab_4.2.5-1_all.deb ... 268s Unpacking python3-reportlab (4.2.5-1) ... 268s Selecting previously unselected package w3c-sgml-lib. 268s Preparing to unpack .../136-w3c-sgml-lib_1.3-3_all.deb ... 268s Unpacking w3c-sgml-lib (1.3-3) ... 268s Selecting previously unselected package python3-biopython. 268s Preparing to unpack .../137-python3-biopython_1.84+dfsg-4_armhf.deb ... 268s Unpacking python3-biopython (1.84+dfsg-4) ... 269s Selecting previously unselected package python3-brotli. 269s Preparing to unpack .../138-python3-brotli_1.1.0-2build2_armhf.deb ... 269s Unpacking python3-brotli (1.1.0-2build2) ... 269s Selecting previously unselected package python3-cftime. 269s Preparing to unpack .../139-python3-cftime_1.6.4-1_armhf.deb ... 269s Unpacking python3-cftime (1.6.4-1) ... 269s Selecting previously unselected package python3-lxml:armhf. 269s Preparing to unpack .../140-python3-lxml_5.3.0-1_armhf.deb ... 269s Unpacking python3-lxml:armhf (5.3.0-1) ... 269s Selecting previously unselected package python3-citeproc. 269s Preparing to unpack .../141-python3-citeproc_0.6.0-3_all.deb ... 269s Unpacking python3-citeproc (0.6.0-3) ... 269s Selecting previously unselected package python3-contourpy. 269s Preparing to unpack .../142-python3-contourpy_1.3.0-2build1_armhf.deb ... 269s Unpacking python3-contourpy (1.3.0-2build1) ... 269s Selecting previously unselected package python3-cycler. 269s Preparing to unpack .../143-python3-cycler_0.12.1-1_all.deb ... 269s Unpacking python3-cycler (0.12.1-1) ... 269s Selecting previously unselected package python3-six. 269s Preparing to unpack .../144-python3-six_1.16.0-7_all.deb ... 269s Unpacking python3-six (1.16.0-7) ... 269s Selecting previously unselected package python3-dateutil. 269s Preparing to unpack .../145-python3-dateutil_2.9.0-2_all.deb ... 269s Unpacking python3-dateutil (2.9.0-2) ... 269s Selecting previously unselected package python3-decorator. 269s Preparing to unpack .../146-python3-decorator_5.1.1-5_all.deb ... 269s Unpacking python3-decorator (5.1.1-5) ... 269s Selecting previously unselected package python3-defusedxml. 269s Preparing to unpack .../147-python3-defusedxml_0.7.1-2_all.deb ... 269s Unpacking python3-defusedxml (0.7.1-2) ... 269s Selecting previously unselected package python3-roman. 269s Preparing to unpack .../148-python3-roman_4.2-1_all.deb ... 269s Unpacking python3-roman (4.2-1) ... 269s Selecting previously unselected package python3-docutils. 269s Preparing to unpack .../149-python3-docutils_0.21.2+dfsg-2_all.deb ... 269s Unpacking python3-docutils (0.21.2+dfsg-2) ... 269s Selecting previously unselected package python3-looseversion. 269s Preparing to unpack .../150-python3-looseversion_1.3.0-3_all.deb ... 269s Unpacking python3-looseversion (1.3.0-3) ... 269s Selecting previously unselected package python3-duecredit. 270s Preparing to unpack .../151-python3-duecredit_0.10.2-2_all.deb ... 270s Unpacking python3-duecredit (0.10.2-2) ... 270s Selecting previously unselected package python3-monotonic. 270s Preparing to unpack .../152-python3-monotonic_1.6-2_all.deb ... 270s Unpacking python3-monotonic (1.6-2) ... 270s Selecting previously unselected package python3-fasteners. 270s Preparing to unpack .../153-python3-fasteners_0.18-2_all.deb ... 270s Unpacking python3-fasteners (0.18-2) ... 270s Selecting previously unselected package python3-scipy. 270s Preparing to unpack .../154-python3-scipy_1.13.1-5_armhf.deb ... 270s Unpacking python3-scipy (1.13.1-5) ... 270s Selecting previously unselected package python3-ufolib2. 270s Preparing to unpack .../155-python3-ufolib2_0.16.1+dfsg1-1_all.deb ... 270s Unpacking python3-ufolib2 (0.16.1+dfsg1-1) ... 270s Selecting previously unselected package python3-mpmath. 270s Preparing to unpack .../156-python3-mpmath_1.3.0-1_all.deb ... 270s Unpacking python3-mpmath (1.3.0-1) ... 271s Selecting previously unselected package python3-sympy. 271s Preparing to unpack .../157-python3-sympy_1.13.3-1_all.deb ... 271s Unpacking python3-sympy (1.13.3-1) ... 271s Selecting previously unselected package python3-tz. 271s Preparing to unpack .../158-python3-tz_2024.1-2_all.deb ... 271s Unpacking python3-tz (2024.1-2) ... 271s Selecting previously unselected package python3-fs. 271s Preparing to unpack .../159-python3-fs_2.4.16-4_all.deb ... 271s Unpacking python3-fs (2.4.16-4) ... 271s Selecting previously unselected package python3-lz4. 271s Preparing to unpack .../160-python3-lz4_4.0.2+dfsg-1build4_armhf.deb ... 271s Unpacking python3-lz4 (4.0.2+dfsg-1build4) ... 271s Selecting previously unselected package python3-unicodedata2. 271s Preparing to unpack .../161-python3-unicodedata2_15.1.0+ds-1build2_armhf.deb ... 271s Unpacking python3-unicodedata2 (15.1.0+ds-1build2) ... 271s Selecting previously unselected package unicode-data. 271s Preparing to unpack .../162-unicode-data_15.1.0-1_all.deb ... 271s Unpacking unicode-data (15.1.0-1) ... 272s Selecting previously unselected package python3-fonttools. 272s Preparing to unpack .../163-python3-fonttools_4.46.0-1build2_armhf.deb ... 272s Unpacking python3-fonttools (4.46.0-1build2) ... 272s Selecting previously unselected package sphinx-rtd-theme-common. 272s Preparing to unpack .../164-sphinx-rtd-theme-common_3.0.1+dfsg-1_all.deb ... 272s Unpacking sphinx-rtd-theme-common (3.0.1+dfsg-1) ... 272s Selecting previously unselected package python3-mrcfile. 272s Preparing to unpack .../165-python3-mrcfile_1.5.3-3_all.deb ... 272s Unpacking python3-mrcfile (1.5.3-3) ... 272s Selecting previously unselected package python3-griddataformats. 272s Preparing to unpack .../166-python3-griddataformats_1.0.2-2_all.deb ... 272s Unpacking python3-griddataformats (1.0.2-2) ... 272s Selecting previously unselected package python3-gsd. 272s Preparing to unpack .../167-python3-gsd_3.3.0-1_armhf.deb ... 272s Unpacking python3-gsd (3.3.0-1) ... 272s Selecting previously unselected package python3-h5py-serial. 272s Preparing to unpack .../168-python3-h5py-serial_3.11.0-5ubuntu1_armhf.deb ... 272s Unpacking python3-h5py-serial (3.11.0-5ubuntu1) ... 272s Selecting previously unselected package python3-h5py. 272s Preparing to unpack .../169-python3-h5py_3.11.0-5ubuntu1_all.deb ... 272s Unpacking python3-h5py (3.11.0-5ubuntu1) ... 272s Selecting previously unselected package python3-sortedcontainers. 272s Preparing to unpack .../170-python3-sortedcontainers_2.4.0-2_all.deb ... 272s Unpacking python3-sortedcontainers (2.4.0-2) ... 272s Selecting previously unselected package python3-hypothesis. 272s Preparing to unpack .../171-python3-hypothesis_6.116.0-1_all.deb ... 272s Unpacking python3-hypothesis (6.116.0-1) ... 273s Selecting previously unselected package python3-imagesize. 273s Preparing to unpack .../172-python3-imagesize_1.4.1-1_all.deb ... 273s Unpacking python3-imagesize (1.4.1-1) ... 273s Selecting previously unselected package python3-iniconfig. 273s Preparing to unpack .../173-python3-iniconfig_1.1.1-2_all.deb ... 273s Unpacking python3-iniconfig (1.1.1-2) ... 273s Selecting previously unselected package python3-joblib. 273s Preparing to unpack .../174-python3-joblib_1.3.2-5_all.deb ... 273s Unpacking python3-joblib (1.3.2-5) ... 273s Selecting previously unselected package python3-kiwisolver. 273s Preparing to unpack .../175-python3-kiwisolver_1.4.7-2build1_armhf.deb ... 273s Unpacking python3-kiwisolver (1.4.7-2build1) ... 273s Selecting previously unselected package python3-latexcodec. 273s Preparing to unpack .../176-python3-latexcodec_3.0.0-1_all.deb ... 273s Unpacking python3-latexcodec (3.0.0-1) ... 273s Selecting previously unselected package python3-matplotlib. 273s Preparing to unpack .../177-python3-matplotlib_3.8.3-3_armhf.deb ... 273s Unpacking python3-matplotlib (3.8.3-3) ... 273s Selecting previously unselected package python3-mda-xdrlib. 273s Preparing to unpack .../178-python3-mda-xdrlib_0.2.0-3_all.deb ... 273s Unpacking python3-mda-xdrlib (0.2.0-3) ... 273s Selecting previously unselected package python3-msgpack. 273s Preparing to unpack .../179-python3-msgpack_1.0.3-3build2_armhf.deb ... 273s Unpacking python3-msgpack (1.0.3-3build2) ... 273s Selecting previously unselected package python3-mmtf. 273s Preparing to unpack .../180-python3-mmtf_1.1.3-1_all.deb ... 273s Unpacking python3-mmtf (1.1.3-1) ... 273s Selecting previously unselected package python3-threadpoolctl. 273s Preparing to unpack .../181-python3-threadpoolctl_3.1.0-1_all.deb ... 273s Unpacking python3-threadpoolctl (3.1.0-1) ... 273s Selecting previously unselected package python3-tqdm. 273s Preparing to unpack .../182-python3-tqdm_4.67.0-1_all.deb ... 273s Unpacking python3-tqdm (4.67.0-1) ... 273s Selecting previously unselected package python3-mdanalysis. 273s Preparing to unpack .../183-python3-mdanalysis_2.7.0-5_armhf.deb ... 273s Unpacking python3-mdanalysis (2.7.0-5) ... 274s Selecting previously unselected package sphinx-common. 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[100%] 1292s 1292s =============================== warnings summary =============================== 1292s ../../../../usr/lib/python3/dist-packages/Bio/Application/__init__.py:39 1292s /usr/lib/python3/dist-packages/Bio/Application/__init__.py:39: BiopythonDeprecationWarning: The Bio.Application modules and modules relying on it have been deprecated. 1292s 1292s Due to the on going maintenance burden of keeping command line application 1292s wrappers up to date, we have decided to deprecate and eventually remove these 1292s modules. 1292s 1292s We instead now recommend building your command line and invoking it directly 1292s with the subprocess module. 1292s warnings.warn( 1292s 1292s ../../../../usr/lib/python3/dist-packages/MDAnalysis/coordinates/DCD.py:165: 2 warnings 1292s testsuite/MDAnalysisTests/analysis/test_align.py: 77 warnings 1292s testsuite/MDAnalysisTests/analysis/test_base.py: 3 warnings 1292s testsuite/MDAnalysisTests/analysis/test_bat.py: 2 warnings 1292s testsuite/MDAnalysisTests/analysis/test_contacts.py: 21 warnings 1292s testsuite/MDAnalysisTests/analysis/test_dielectric.py: 6 warnings 1292s testsuite/MDAnalysisTests/analysis/test_encore.py: 10 warnings 1292s testsuite/MDAnalysisTests/analysis/test_helix_analysis.py: 7 warnings 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel.py: 1 warning 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py: 1 warning 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py: 6 warnings 1292s testsuite/MDAnalysisTests/analysis/test_lineardensity.py: 6 warnings 1292s testsuite/MDAnalysisTests/analysis/test_msd.py: 2 warnings 1292s testsuite/MDAnalysisTests/analysis/test_pca.py: 12 warnings 1292s testsuite/MDAnalysisTests/analysis/test_psa.py: 124 warnings 1292s testsuite/MDAnalysisTests/analysis/test_rms.py: 38 warnings 1292s testsuite/MDAnalysisTests/analysis/test_waterdynamics.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_chainreader.py: 72 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_copying.py: 18 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py: 112 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_lammps.py: 5 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_memory.py: 88 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 7 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 5 warnings 1292s testsuite/MDAnalysisTests/core/test_accumulate.py: 48 warnings 1292s testsuite/MDAnalysisTests/core/test_atom.py: 15 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 170 warnings 1292s testsuite/MDAnalysisTests/core/test_atomselections.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_copying.py: 6 warnings 1292s testsuite/MDAnalysisTests/core/test_groups.py: 11 warnings 1292s testsuite/MDAnalysisTests/core/test_residue.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_residuegroup.py: 23 warnings 1292s testsuite/MDAnalysisTests/core/test_segmentgroup.py: 9 warnings 1292s testsuite/MDAnalysisTests/core/test_topologyattrs.py: 8 warnings 1292s testsuite/MDAnalysisTests/core/test_topologyobjects.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_universe.py: 31 warnings 1292s testsuite/MDAnalysisTests/lib/test_distances.py: 46 warnings 1292s testsuite/MDAnalysisTests/lib/test_neighborsearch.py: 2 warnings 1292s testsuite/MDAnalysisTests/lib/test_qcprot.py: 2 warnings 1292s testsuite/MDAnalysisTests/lib/test_util.py: 67 warnings 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py: 3 warnings 1292s testsuite/MDAnalysisTests/parallelism/test_pickle_transformation.py: 8 warnings 1292s testsuite/MDAnalysisTests/topology/test_guessers.py: 1 warning 1292s testsuite/MDAnalysisTests/topology/test_minimal.py: 2 warnings 1292s testsuite/MDAnalysisTests/transformations/test_base.py: 1 warning 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 3 warnings 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 3 warnings 1292s testsuite/MDAnalysisTests/utils/test_selections.py: 20 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/DCD.py:165: DeprecationWarning: DCDReader currently makes independent timesteps by copying self.ts while other readers update self.ts inplace. This behavior will be changed in 3.0 to be the same as other readers. Read more at https://github.com/MDAnalysis/mdanalysis/issues/3889 to learn if this change in behavior might affect you. 1292s warnings.warn("DCDReader currently makes independent timesteps" 1292s 1292s ../../../../usr/lib/python3/dist-packages/MDAnalysis/analysis/hbonds/hbond_autocorrel.py:52 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hbonds/hbond_autocorrel.py:52: DeprecationWarning: This module was moved to MDAnalysis.analysis.hydrogenbonds.hbond_autocorrel; hbonds.hbond_autocorrel will be removed in 3.0.0. 1292s warnings.warn(wmsg, category=DeprecationWarning) 1292s 1292s ../../../../usr/lib/python3/dist-packages/MDAnalysis/coordinates/chemfiles.py:122 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_ts_error[ChemfilesWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[ChemfilesWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[ChemfilesWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/chemfiles.py:122: UserWarning: chemfiles package not found, try installing it with 'pip install chemfiles' 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_align.py: 8 warnings 1292s testsuite/MDAnalysisTests/analysis/test_psa.py: 20 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_chainreader.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py: 8 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 13 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/DCD.py:463: UserWarning: No dimensions set for current frame, zeroed unitcell will be written 1292s warnings.warn(wmsg) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_align.py: 5 warnings 1292s testsuite/MDAnalysisTests/analysis/test_encore.py: 203 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_memory.py: 9 warnings 1292s testsuite/MDAnalysisTests/core/test_universe.py: 17 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/memory.py:535: DeprecationWarning: asel argument to timeseries will be renamed to'atomgroup' in 3.0, see #3911 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_align.py: 2 warnings 1292s testsuite/MDAnalysisTests/core/test_topologyobjects.py: 1 warning 1292s testsuite/MDAnalysisTests/core/test_universe.py: 46 warnings 1292s testsuite/MDAnalysisTests/core/test_updating_atomgroup.py: 1 warning 1292s testsuite/MDAnalysisTests/topology/test_psf.py: 4 warnings 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py: 5 warnings 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_streamio.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/adk.psf. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/analysis/test_bat.py: 9 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_mol2.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/MOL2Parser.py:234: UserWarning: Unknown elements found for some atoms: {'oh', 'c3', 'hc', 'ho', 'h1'}. These have been given an empty element record. 1292s warnings.warn("Unknown elements found for some " 1292s 1292s testsuite/MDAnalysisTests/analysis/test_bat.py: 9 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_mol2.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 1 warning 1292s testsuite/MDAnalysisTests/topology/test_mol2.py: 3 warnings 1292s testsuite/MDAnalysisTests/topology/test_pdb.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_bat.py: 7 warnings 1292s testsuite/MDAnalysisTests/analysis/test_contacts.py: 2 warnings 1292s testsuite/MDAnalysisTests/analysis/test_helix_analysis.py: 1 warning 1292s testsuite/MDAnalysisTests/analysis/test_nucleicacids.py: 3 warnings 1292s testsuite/MDAnalysisTests/analysis/test_persistencelength.py: 9 warnings 1292s testsuite/MDAnalysisTests/analysis/test_wbridge.py: 36 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/base.py:447: UserWarning: Reader has no dt information, set to 1.0 ps 1292s self.times[i] = ts.time 1292s 1292s testsuite/MDAnalysisTests/analysis/test_bat.py: 1 warning 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel.py: 1 warning 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_amber_inpcrd.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_copying.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_crd.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_dlpoly.py: 31 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 4 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdbqt.py: 13 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pqr.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 6 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_tng.py: 1 warning 1292s testsuite/MDAnalysisTests/core/test_atom.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_universe.py: 5 warnings 1292s testsuite/MDAnalysisTests/lib/test_util.py: 14 warnings 1292s testsuite/MDAnalysisTests/topology/test_dlpoly.py: 45 warnings 1292s testsuite/MDAnalysisTests/topology/test_pdbqt.py: 9 warnings 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py: 20 warnings 1292s testsuite/MDAnalysisTests/topology/test_xyz.py: 8 warnings 1292s testsuite/MDAnalysisTests/utils/test_streamio.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: A 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_contacts.py::TestContacts::test_villin_folded 1292s testsuite/MDAnalysisTests/analysis/test_contacts.py::TestContacts::test_villin_unfolded 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_contacts.py:160: UserWarning: Reader has no dt information, set to 1.0 ps 1292s results.append((ts.time, x.sum() / mask.sum())) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_density.py::TestDensityAnalysis::test_userdefn_neqbox 1292s testsuite/MDAnalysisTests/analysis/test_density.py::TestDensityAnalysis::test_userdefn_boxshape 1292s testsuite/MDAnalysisTests/analysis/test_density.py::TestDensityAnalysis::test_ValueError_userdefn_gridcenter_shape 1292s testsuite/MDAnalysisTests/analysis/test_density.py::TestDensityAnalysis::test_ValueError_userdefn_gridcenter_type 1292s testsuite/MDAnalysisTests/analysis/test_density.py::TestDensityAnalysis::test_ValueError_userdefn_gridcenter_missing 1292s testsuite/MDAnalysisTests/analysis/test_density.py::TestDensityAnalysis::test_ValueError_userdefn_xdim_type 1292s testsuite/MDAnalysisTests/analysis/test_density.py::TestDensityAnalysis::test_ValueError_userdefn_xdim_nanvalue 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/density.py:423: UserWarning: Box padding (currently set at 2.0) is not used in user defined grids. 1292s warnings.warn(msg) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_density.py::TestDensityAnalysis::test_userdefn_neqbox 1292s testsuite/MDAnalysisTests/analysis/test_density.py::TestDensityAnalysis::test_userdefn_boxshape 1292s testsuite/MDAnalysisTests/analysis/test_density.py::TestDensityAnalysis::test_warn_userdefn_padding 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/density.py:556: UserWarning: Atom selection does not fit grid --- you may want to define a larger box 1292s warnings.warn(msg) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_diffusionmap.py: 1 warning 1292s testsuite/MDAnalysisTests/analysis/test_helix_analysis.py: 1 warning 1292s testsuite/MDAnalysisTests/analysis/test_hole2.py: 1 warning 1292s testsuite/MDAnalysisTests/auxiliary/test_xvg.py: 8 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_chainreader.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_copying.py: 16 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py: 6 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 5 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_namdbin.py: 21 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 80 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdbqt.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trc.py: 8 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py: 17 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 14 warnings 1292s testsuite/MDAnalysisTests/core/test_atomselections.py: 2 warnings 1292s testsuite/MDAnalysisTests/core/test_copying.py: 1 warning 1292s testsuite/MDAnalysisTests/core/test_group_traj_access.py: 9 warnings 1292s testsuite/MDAnalysisTests/core/test_universe.py: 11 warnings 1292s testsuite/MDAnalysisTests/lib/test_nsgrid.py: 3 warnings 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py: 6 warnings 1292s testsuite/MDAnalysisTests/topology/test_pdb.py: 19 warnings 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py: 10 warnings 1292s testsuite/MDAnalysisTests/topology/test_xpdb.py: 8 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_persistence.py: 7 warnings 1292s testsuite/MDAnalysisTests/utils/test_streamio.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/PDBParser.py:331: UserWarning: Element information is missing, elements attribute will not be populated. If needed these can be guessed using MDAnalysis.topology.guessers. 1292s warnings.warn("Element information is missing, elements attribute " 1292s 1292s testsuite/MDAnalysisTests/analysis/test_dihedrals.py::TestRamachandran::test_ramachandran 1292s testsuite/MDAnalysisTests/analysis/test_dihedrals.py::TestRamachandran::test_ramachandran_single_frame 1292s testsuite/MDAnalysisTests/analysis/test_dihedrals.py::TestRamachandran::test_ramachandran_residue_selections 1292s testsuite/MDAnalysisTests/analysis/test_dihedrals.py::TestRamachandran::test_ramachandran_attr_warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/dihedrals.py:400: UserWarning: Cannot determine phi and psi angles for the first or last residues 1292s warnings.warn("Cannot determine phi and psi angles for the first " 1292s 1292s testsuite/MDAnalysisTests/analysis/test_dihedrals.py::TestJanin::test_janin 1292s testsuite/MDAnalysisTests/analysis/test_dihedrals.py::TestJanin::test_janin_tpr 1292s testsuite/MDAnalysisTests/analysis/test_dihedrals.py::TestJanin::test_janin_single_frame 1292s testsuite/MDAnalysisTests/analysis/test_dihedrals.py::TestJanin::test_plot 1292s testsuite/MDAnalysisTests/analysis/test_dihedrals.py::TestJanin::test_janin_attr_warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/dihedrals.py:582: UserWarning: All residues selected with 'resname ALA CYS* GLY PRO SER THR VAL' have been removed from the selection. 1292s warnings.warn(f"All residues selected with '{select_remove}' " 1292s 1292s testsuite/MDAnalysisTests/analysis/test_encore.py: 5 warnings 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py: 34 warnings 1292s testsuite/MDAnalysisTests/visualization/test_streamlines.py: 3 warnings 1292s /usr/lib/python3.12/multiprocessing/popen_fork.py:66: DeprecationWarning: This process (pid=5337) is multi-threaded, use of fork() may lead to deadlocks in the child. 1292s self.pid = os.fork() 1292s 1292s testsuite/MDAnalysisTests/analysis/test_helix_analysis.py::test_local_screw_angles_plane_circle 1292s testsuite/MDAnalysisTests/analysis/test_helix_analysis.py::test_local_screw_angles_ortho_circle 1292s testsuite/MDAnalysisTests/analysis/test_helix_analysis.py::test_local_screw_angles_parallel_axes 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/helix_analysis.py:181: RuntimeWarning: invalid value encountered in divide 1292s cos = cos_perp, cos_ortho = np.matmul(refs, proj_plane.T)/norms 1292s 1292s testsuite/MDAnalysisTests/analysis/test_helix_analysis.py: 30 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/helix_analysis.py:262: RuntimeWarning: invalid value encountered in divide 1292s local_axes = (cross_bi.T / mdamath.pnorm(cross_bi)).T # (n_res-3, 3) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_helix_analysis.py: 16 warnings 1292s /usr/lib/python3/dist-packages/numpy/core/_methods.py:206: RuntimeWarning: Degrees of freedom <= 0 for slice 1292s ret = _var(a, axis=axis, dtype=dtype, out=out, ddof=ddof, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_helix_analysis.py: 16 warnings 1292s /usr/lib/python3/dist-packages/numpy/core/_methods.py:195: RuntimeWarning: invalid value encountered in divide 1292s ret = um.true_divide( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_helix_analysis.py: 16 warnings 1292s /usr/lib/python3/dist-packages/numpy/core/_methods.py:198: RuntimeWarning: invalid value encountered in scalar divide 1292s ret = ret.dtype.type(ret / rcount) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hole2.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 15 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 14 warnings 1292s testsuite/MDAnalysisTests/core/test_atomselections.py: 1 warning 1292s testsuite/MDAnalysisTests/core/test_topologyattrs.py: 1 warning 1292s testsuite/MDAnalysisTests/topology/test_pdb.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:453: UserWarning: 1 A^3 CRYST1 record, this is usually a placeholder. Unit cell dimensions will be set to None. 1292s warnings.warn("1 A^3 CRYST1 record," 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hole2.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 23 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 15 warnings 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:777: UserWarning: Unit cell dimensions not found. CRYST1 record set to unitary values. 1292s warnings.warn("Unit cell dimensions not found. " 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hole2.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 22 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 15 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'elements' Using default value of ' ' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hole2.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 32 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 15 warnings 1292s testsuite/MDAnalysisTests/topology/test_altloc.py: 1 warning 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 3 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'formalcharges' Using default value of '0' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel.py: 13 warnings 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py: 14 warnings 1292s testsuite/MDAnalysisTests/analysis/test_persistencelength.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_copying.py: 18 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 5 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 39 warnings 1292s testsuite/MDAnalysisTests/core/test_atomselections.py: 14 warnings 1292s testsuite/MDAnalysisTests/core/test_topologyobjects.py: 1 warning 1292s testsuite/MDAnalysisTests/core/test_universe.py: 3 warnings 1292s testsuite/MDAnalysisTests/core/test_wrap.py: 13 warnings 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py: 1 warning 1292s testsuite/MDAnalysisTests/topology/test_minimal.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRZ.py:119: DeprecationWarning: The TRZ reader is deprecated and will be removed in MDAnalysis version 3.0.0 1292s warnings.warn(wmsg, DeprecationWarning) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel.py: 9 warnings 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py: 10 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_autocorrel.py:377: RuntimeWarning: Desired number of sample points too high, using 6 1292s warnings.warn("Desired number of sample points too high, using {0}" 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_continuous 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:62: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s hbond = HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_continuous_excl 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:79: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s hbond = HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_intermittent 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:99: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s hbond = HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_intermittent_timecut 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:117: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s hbond = HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_intermittent_excl 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:135: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s hbond = HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_solve_continuous 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:156: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s hbond = HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_solve_intermittent 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:181: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s hbond = HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_wronglength_DA 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:210: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_exclusions 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:225: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_bond_type_VE 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:236: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_solve_before_run_VE 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:247: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s hbond = HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_unslicable_traj_VE 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:262: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s HBAC( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::TestHydrogenBondAutocorrel::test_repr 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:272: DeprecationWarning: `HydrogenBondAutoCorrel` is deprecated! 1292s `HydrogenBondAutoCorrel` will be removed in release 3.0.0. 1292s The class was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s hbond = HBAC(u, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::test_find_donors 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:300: DeprecationWarning: `find_hydrogen_donors` is deprecated! 1292s `find_hydrogen_donors` will be removed in release 3.0.0. 1292s The function was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s D = hbonds.find_hydrogen_donors(H) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py::test_donors_nobonds 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/analysis/test_hydrogenbondautocorrel_deprecated.py:312: DeprecationWarning: `find_hydrogen_donors` is deprecated! 1292s `find_hydrogen_donors` will be removed in release 3.0.0. 1292s The function was moved to MDAnalysis.analysis.hbonds.hbond_autocorrel. 1292s hbonds.find_hydrogen_donors(u.atoms) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisIdeal::test_count_by_type 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:733: UserWarning: No hydrogen bonds were found given d-a cutoff of 3.0 between Donor, name O, and Acceptor, name O. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisIdeal::test_count_by_type 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:765: UserWarning: No hydrogen bonds were found given angle of 120.0 between Donor, name O, and Acceptor, name O. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisIdeal::test_logging_step_not_1 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisNoRes::test_logging_step_not_1 1292s testsuite/MDAnalysisTests/analysis/test_waterdynamics.py::test_SurvivalProbability_zeroMolecules 1292s /usr/lib/python3/dist-packages/numpy/core/fromnumeric.py:3504: RuntimeWarning: Mean of empty slice. 1292s return _methods._mean(a, axis=axis, dtype=dtype, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisIdeal::test_logging_step_not_1 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisNoRes::test_logging_step_not_1 1292s testsuite/MDAnalysisTests/analysis/test_waterdynamics.py::test_SurvivalProbability_zeroMolecules 1292s /usr/lib/python3/dist-packages/numpy/core/_methods.py:129: RuntimeWarning: invalid value encountered in scalar divide 1292s ret = ret.dtype.type(ret / rcount) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisNoRes::test_count_by_type 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisNoRes::test_no_hydrogen_bonds 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:733: UserWarning: No hydrogen bonds were found given d-a cutoff of 3.0 between Donor, type O, and Acceptor, type O. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisNoRes::test_count_by_type 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:765: UserWarning: No hydrogen bonds were found given angle of 120.0 between Donor, type O, and Acceptor, type O. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisTIP3P_GuessAcceptors_GuessHydrogens_UseTopology_::test_no_hydrogens 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:733: UserWarning: No hydrogen bonds were found given d-a cutoff of 3.0 between Donor, None, and Acceptor, name OH2. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisTIP3P_GuessAcceptors_GuessHydrogens_UseTopology_::test_no_hydrogens 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:765: UserWarning: No hydrogen bonds were found given angle of 120.0 between Donor, None, and Acceptor, name OH2. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisEmptySelections::test_hbond_analysis 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:355: UserWarning: donors_sel is an empty selection string - no hydrogen bonds will be found. This may be intended, but please check your selection. 1292s warnings.warn(msg.format(sel)) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisEmptySelections::test_hbond_analysis 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:355: UserWarning: hydrogens_sel is an empty selection string - no hydrogen bonds will be found. This may be intended, but please check your selection. 1292s warnings.warn(msg.format(sel)) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisEmptySelections::test_hbond_analysis 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:355: UserWarning: acceptors_sel is an empty selection string - no hydrogen bonds will be found. This may be intended, but please check your selection. 1292s warnings.warn(msg.format(sel)) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisEmptySelections::test_hbond_analysis 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/groups.py:3218: UserWarning: Empty string to select atoms, empty group returned. 1292s warnings.warn("Empty string to select atoms, empty group returned.", 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisEmptySelections::test_hbond_analysis 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:733: UserWarning: No hydrogen bonds were found given d-a cutoff of 3.0 between Donor, , and Acceptor, . 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_hydrogenbonds_analysis.py::TestHydrogenBondAnalysisEmptySelections::test_hbond_analysis 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py:765: UserWarning: No hydrogen bonds were found given angle of 150 between Donor, , and Acceptor, . 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/analysis/test_leaflet.py: 12 warnings 1292s testsuite/MDAnalysisTests/lib/test_nsgrid.py: 1 warning 1292s testsuite/MDAnalysisTests/lib/test_util.py: 14 warnings 1292s testsuite/MDAnalysisTests/visualization/test_streamlines.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: G 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_leaflet.py: 12 warnings 1292s testsuite/MDAnalysisTests/core/test_universe.py: 2 warnings 1292s testsuite/MDAnalysisTests/lib/test_nsgrid.py: 1 warning 1292s testsuite/MDAnalysisTests/visualization/test_streamlines.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: R 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_msd.py::TestMSDSimple::test_random_walk_u_simple 1292s testsuite/MDAnalysisTests/analysis/test_pca.py::test_cosine_content 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/PDBParser.py:348: UserWarning: Unknown element X found for some atoms. These have been given an empty element record. If needed they can be guessed using MDAnalysis.topology.guessers. 1292s warnings.warn(wmsg) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_msd.py: 1 warning 1292s testsuite/MDAnalysisTests/analysis/test_pca.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_crd.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_fhiaims.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 6 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pqr.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py: 1 warning 1292s testsuite/MDAnalysisTests/topology/test_guessers.py: 1 warning 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: X 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_nuclinfo.py::test_phase_cp[RNAA-9-3.16497] 1292s testsuite/MDAnalysisTests/analysis/test_nuclinfo.py::test_phase_cp[RNAA-9-3.16497] 1292s testsuite/MDAnalysisTests/analysis/test_nuclinfo.py::test_phase_cp[RNAA-21-22.07721] 1292s testsuite/MDAnalysisTests/analysis/test_nuclinfo.py::test_phase_cp[RNAA-21-22.07721] 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/nuclinfo.py:302: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.) 1292s phase_ang = (atan2(D, C) + (pi / 2.)) * 180. / pi 1292s 1292s testsuite/MDAnalysisTests/analysis/test_psa.py::TestPSAnalysis::test_dist_mat_to_vec_i_greater_j 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/psa.py:733: UserWarning: Column index entered (j = 3 is smaller than row index (i = 4). Using symmetric element in upper triangle of distance matrix instead: i --> j, j --> i 1292s warnings.warn("Column index entered (j = {:d} is smaller than row " 1292s 1292s testsuite/MDAnalysisTests/analysis/test_rdf.py: 20 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:658: UserWarning: Reader has no dt information, set to 1.0 ps 1292s dt=self.trajectory.ts.dt * step, 1292s 1292s testsuite/MDAnalysisTests/analysis/test_rdf.py::test_ignore_same_residues[residue-8] 1292s testsuite/MDAnalysisTests/analysis/test_rdf.py::test_ignore_same_residues[segment-0] 1292s testsuite/MDAnalysisTests/analysis/test_rdf.py::test_ignore_same_residues[chain-8] 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/rdf.py:347: DeprecationWarning: The `rdf` attribute was deprecated in MDAnalysis 2.0.0 and will be removed in MDAnalysis 3.0.0. Please use `results.rdf` instead 1292s warnings.warn(wmsg, DeprecationWarning) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_rdf_s.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_amber_inpcrd.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 17 warnings 1292s testsuite/MDAnalysisTests/lib/test_util.py: 14 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: D 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_rdf_s.py: 13 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/rdf.py:554: DeprecationWarning: The `u` attribute is superflous and will be removed in MDAnalysis 3.0.0. 1292s warnings.warn("The `u` attribute is superflous and will be removed " 1292s 1292s testsuite/MDAnalysisTests/analysis/test_rdf_s.py::test_density[True-0.021915460340071267] 1292s testsuite/MDAnalysisTests/analysis/test_rdf_s.py::test_overwrite_norm 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/rdf.py:567: DeprecationWarning: The `density` attribute was deprecated in MDAnalysis 2.3.0 and will be removed in MDAnalysis 3.0.0. Please use `norm=density` instead. 1292s warnings.warn("The `density` attribute was deprecated in " 1292s 1292s testsuite/MDAnalysisTests/analysis/test_wbridge.py::TestWaterBridgeAnalysis::test_nodata 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/wbridge_analysis.py:1782: MissingDataWarning: No data computed, do run() first. 1292s warnings.warn(msg, category=MissingDataWarning) 1292s 1292s testsuite/MDAnalysisTests/analysis/test_wbridge.py: 36 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/hydrogenbonds/wbridge_analysis.py:1248: UserWarning: Reader has no dt information, set to 1.0 ps 1292s self.timesteps.append(self._ts.time) 1292s 1292s testsuite/MDAnalysisTests/auxiliary/test_core.py: 1 warning 1292s testsuite/MDAnalysisTests/auxiliary/test_xvg.py: 16 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/auxiliary/base.py:175: UserWarning: AuxStep does not support time selection. Reverting to default 1292s warnings.warn("{} does not support time selection. Reverting to " 1292s 1292s testsuite/MDAnalysisTests/auxiliary/test_xvg.py: 20 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/auxiliary/base.py:211: UserWarning: AuxStep does not support data selection. Reverting to default 1292s warnings.warn("{} does not support data selection. Reverting to " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_chainreader.py: 24 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_copying.py: 7 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_gms.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 12 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_lammps.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_namdbin.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 5 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pqr.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 13 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py: 6 warnings 1292s testsuite/MDAnalysisTests/core/test_universe.py: 1 warning 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py: 4 warnings 1292s testsuite/MDAnalysisTests/utils/test_persistence.py: 5 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py:725: UserWarning: Reader has no dt information, set to 1.0 ps 1292s return self.ts.dt 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_chainreader.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_lammps.py: 34 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_windows.py: 20 warnings 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py: 1 warning 1292s testsuite/MDAnalysisTests/topology/test_lammpsdata.py: 4 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/LAMMPS.py:598: UserWarning: Reader has no dt information, set to 1.0 ps 1292s ts.data['time'] = step_num * ts.dt 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_chainreader.py::TestChainReaderFormats::test_set_all_formats 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::test_write_unitcell_triclinic[RefNAMDtriclinicDCD] 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py::TestH5MDWriterWithRealTrajectory::test_write_trajectory[True-True-False] 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1532, in __del__ 1292s self.close() 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/chain.py", line 597, in close 1292s self._apply('close') 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/chain.py", line 504, in _apply 1292s return [reader.__getattribute__(method)(**kwargs) for reader in self.readers] 1292s ^^^^^^^^^^^^ 1292s AttributeError: 'ChainReader' object has no attribute 'readers' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_chainreader.py::TestChainReaderContinuous::test_missing 1292s testsuite/MDAnalysisTests/coordinates/test_trc.py::TestTRCReaderVacuumBox::test_initial_frame_is_0 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/chain.py:349: UserWarning: Missing frame in continuous chain 1292s warnings.warn("Missing frame in continuous chain", UserWarning) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_copying.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 215 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 103 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py: 300 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/auxiliary/base.py:595: UserWarning: Reader has no dt information, set to 1.0 ps 1292s time_frame_0 = ts.time - ts.frame*ts.dt # assumes ts.dt is constant 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_copying.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 215 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 151 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py: 300 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/auxiliary/base.py:597: UserWarning: Reader has no dt information, set to 1.0 ps 1292s frame_index = int(math.floor((time_step-time_frame_0+ts.dt/2.)/ts.dt)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_copying.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 161 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 59 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py: 124 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/auxiliary/base.py:622: UserWarning: Reader has no dt information, set to 1.0 ps 1292s step = int(math.floor((ts.time-ts.dt/2-self.initial_time)/self.dt)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_copying.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 152 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py: 136 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/auxiliary/base.py:457: UserWarning: Reader has no dt information, set to 1.0 ps 1292s self._add_step_to_frame_data(ts.time) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_crd.py::TestCRDWriterMissingAttrs::test_write[resnames] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/CRD.py:248: UserWarning: Supplied AtomGroup was missing the following attributes: resnames, tempfactors. These will be written with default values. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_crd.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pqr.py: 3 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: AL 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_crd.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pqr.py: 3 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: BE 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_crd.py::TestCRDWriterMissingAttrs::test_write[resids] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/CRD.py:248: UserWarning: Supplied AtomGroup was missing the following attributes: resids, tempfactors. These will be written with default values. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_crd.py::TestCRDWriterMissingAttrs::test_write[names] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/CRD.py:248: UserWarning: Supplied AtomGroup was missing the following attributes: names, tempfactors. These will be written with default values. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_crd.py::TestCRDWriterMissingAttrs::test_write[tempfactors] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/CRD.py:248: UserWarning: Supplied AtomGroup was missing the following attributes: tempfactors, tempfactors. These will be written with default values. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py: 5 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_fhiaims.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 23 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 5 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_namdbin.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 7 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py: 10 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py: 24 warnings 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/base.py:749: UserWarning: Reader has no dt information, set to 1.0 ps 1292s if not np.allclose(A.time, B.time): 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::TestDCDReader::test_timeseries_asel_shape[index 1] 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::TestDCDReader::test_timeseries_asel_shape[index 2] 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::TestDCDReader::test_timeseries_asel_shape[index 1 to 3] 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::TestDCDReader::test_timeseries_empty_asel 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::TestDCDReader::test_timeseries_atomgroup_asel_mutex 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::test_timeseries_atomindices[indices0] 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::test_timeseries_atomindices[indices1] 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::test_timeseries_atomindices[indices2] 1292s testsuite/MDAnalysisTests/coordinates/test_memory.py::TestMemoryReader::test_filename_array 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/DCD.py:326: DeprecationWarning: asel argument to timeseries will be renamed to'atomgroup' in 3.0, see #3911 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::TestDCDReader::test_empty_dcd 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1532, in __del__ 1292s self.close() 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/DCD.py", line 181, in close 1292s self._file.close() 1292s ^^^^^^^^^^ 1292s AttributeError: 'DCDReader' object has no attribute '_file' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::TestDCDWriter::test_no_container 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py::test_write_no_natoms 1292s testsuite/MDAnalysisTests/coordinates/test_lammps.py::TestLAMMPSDCDWriterClass::test_wrong_time_unit 1292s testsuite/MDAnalysisTests/coordinates/test_lammps.py::TestLAMMPSDCDWriterClass::test_wrong_unit 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/DCD.py", line 482, in __del__ 1292s self.close() 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/DCD.py", line 479, in close 1292s self._file.close() 1292s ^^^^^^^^^^ 1292s AttributeError: 'DCDWriter' object has no attribute '_file' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_dcd.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 102 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 5 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trj.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_windows.py: 2 warnings 1292s testsuite/MDAnalysisTests/core/test_atomselections.py: 3 warnings 1292s testsuite/MDAnalysisTests/topology/test_top.py: 63 warnings 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py: 10 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/TOPParser.py:299: UserWarning: ATOMIC_NUMBER record not found, elements attribute will not be populated. If needed these can be guessed using MDAnalysis.topology.guessers. 1292s warnings.warn(msg) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_dms.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_fhiaims.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_namdbin.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 5 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdbqt.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_pqr.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py:754: UserWarning: Reader has no dt information, set to 1.0 ps 1292s return self.ts.time 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_fhiaims.py::TestFHIAIMSWriter::test_writer_no_atom_names 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[FHIAIMSWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[FHIAIMSWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/FHIAIMS.py:281: UserWarning: Supplied AtomGroup was missing the following attributes: names, ids. These will be written with default values. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROReader::test_ts_dt_matches_reader 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROReaderNoConversion::test_ts_dt_matches_reader 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROReaderIncompleteVelocities::test_ts_dt_matches_reader 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROBZ2Reader::test_ts_dt_matches_reader 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py::TestH5MDReaderBaseAPI::test_ts_dt_matches_reader 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py::TestXYZReader::test_ts_dt_matches_reader 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py::Test_XYZBZReader::test_ts_dt_matches_reader 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/base.py:261: UserWarning: Reader has no dt information, set to 1.0 ps 1292s assert_equal(reader.ts.dt, reader.dt) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 4 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py: 6 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/auxiliary/base.py:601: UserWarning: Reader has no dt information, set to 1.0 ps 1292s time_frame = time_frame_0 + frame_index*ts.dt 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROReader::test_pickle_reader 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROReaderNoConversion::test_pickle_reader 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROReaderIncompleteVelocities::test_pickle_reader 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROBZ2Reader::test_pickle_reader 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py::TestH5MDReaderBaseAPI::test_pickle_reader 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py::TestXYZReader::test_pickle_reader 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py::Test_XYZBZReader::test_pickle_reader 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/base.py:442: UserWarning: Reader has no dt information, set to 1.0 ps 1292s reader_p = pickle.loads(pickle.dumps(reader)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 20 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 5 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py: 10 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py: 10 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py:1034: DeprecationWarning: asel argument to timeseries will be renamed to'atomgroup' in 3.0, see #3911 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROWriter::test_write_no_resnames 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/GRO.py:421: UserWarning: Supplied AtomGroup was missing the following attributes: resnames. These will be written with default values. Alternatively these can be supplied as keyword arguments. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 4 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 2 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 8 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/GRO.py:479: UserWarning: missing dimension - setting unit cell to zeroed box [0., 0., 0.] 1292s warnings.warn(wmsg) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 3 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 8 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/GRO.py:228: UserWarning: Empty box [0., 0., 0.] found - treating as missing unit cell. Dimensions set to `None`. 1292s warnings.warn(wmsg) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROWriter::test_write_no_resids 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/GRO.py:421: UserWarning: Supplied AtomGroup was missing the following attributes: resids. These will be written with default values. Alternatively these can be supplied as keyword arguments. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::TestGROWriter::test_writer_no_atom_names 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/GRO.py:421: UserWarning: Supplied AtomGroup was missing the following attributes: names. These will be written with default values. Alternatively these can be supplied as keyword arguments. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py: 55 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/GRO.py:216: UserWarning: Not all velocities were present. Unset velocities set to zero. 1292s warnings.warn("Not all velocities were present. " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_gro.py::test_growriter_resid_truncation 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/GRO.py:421: UserWarning: Supplied AtomGroup was missing the following attributes: names, resnames. These will be written with default values. Alternatively these can be supplied as keyword arguments. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py::TestH5MDReaderBaseAPI::test_pickle_next_ts_reader 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py::TestXYZReader::test_pickle_next_ts_reader 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py::Test_XYZBZReader::test_pickle_next_ts_reader 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/base.py:604: UserWarning: Reader has no dt information, set to 1.0 ps 1292s reader_p = pickle.loads(pickle.dumps(reader)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py::TestH5MDReaderBaseAPI::test_pickle_last_ts_reader 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py::TestXYZReader::test_pickle_last_ts_reader 1292s testsuite/MDAnalysisTests/coordinates/test_xyz.py::Test_XYZBZReader::test_pickle_last_ts_reader 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/base.py:612: UserWarning: Reader has no dt information, set to 1.0 ps 1292s reader_p = pickle.loads(pickle.dumps(reader)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py::TestH5MDReaderWithRealTrajectory::test_wrong_driver 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1532, in __del__ 1292s self.close() 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/H5MD.py", line 739, in close 1292s self._file.close() 1292s ^^^^^^^^^^ 1292s AttributeError: 'H5MDReader' object has no attribute '_file' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 17 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 15 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'altLocs' Using default value of ' ' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 17 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 15 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'icodes' Using default value of ' ' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 17 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 15 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'occupancies' Using default value of '1.0' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 17 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 15 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'tempfactors' Using default value of '0.0' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py: 3 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 16 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 15 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'record_types' Using default value of 'ATOM' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_h5md.py::TestH5PYNotInstalled::test_reader_no_h5py 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1530, in __del__ 1292s for aux in self.aux_list: 1292s ^^^^^^^^^^^^^ 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1170, in aux_list 1292s return self._auxs.keys() 1292s ^^^^^^^^^^ 1292s AttributeError: 'H5MDReader' object has no attribute '_auxs' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_lammps.py: 33 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_windows.py: 20 warnings 1292s testsuite/MDAnalysisTests/topology/test_lammpsdata.py: 18 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/LAMMPSParser.py:632: UserWarning: Guessed all Masses to 1.0 1292s warnings.warn('Guessed all Masses to 1.0') 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_lammps.py::TestLAMMPSDCDReader::test_wrong_time_unit 1292s testsuite/MDAnalysisTests/coordinates/test_lammps.py::TestLAMMPSDCDReader::test_wrong_unit 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1530, in __del__ 1292s for aux in self.aux_list: 1292s ^^^^^^^^^^^^^ 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1170, in aux_list 1292s return self._auxs.keys() 1292s ^^^^^^^^^^ 1292s AttributeError: 'DCDReader' object has no attribute '_auxs' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_memory.py::TestMemoryReader::test_timeseries_subarray_view 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/memory.py:545: DeprecationWarning: MemoryReader.timeseries inclusive `stop` indexing will be removed in 3.0 in favour of exclusive indexing 1292s warnings.warn("MemoryReader.timeseries inclusive `stop` " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_namdbin.py::TestNAMDBINReader::test_pickle_singleframe_reader 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestPDBReader::test_pickle_singleframe_reader 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestExtendedPDBReader::test_pickle_singleframe_reader 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestPSF_CRDReader::test_pickle_singleframe_reader 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestPSF_PDBReader::test_pickle_singleframe_reader 1292s testsuite/MDAnalysisTests/coordinates/test_pqr.py::TestPQRReader::test_pickle_singleframe_reader 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/base.py:124: UserWarning: Reader has no dt information, set to 1.0 ps 1292s reader_p = pickle.loads(pickle.dumps(reader)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFReader4::test_chain_times 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRJ.py:554: UserWarning: NCDF trajectory does not contain `time` information; `time` will be set as an increasing index 1292s warnings.warn(wmsg) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFReader4::test_chain_times 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFReader4::test_warn_user_no_time_information 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRJ.py:667: UserWarning: Reader has no dt information, set to 1.0 ps 1292s ts.time) # in-place ! (hope this works...) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFReader4::test_chain_times 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/test_netcdf.py:316: UserWarning: Reader has no dt information, set to 1.0 ps 1292s time_list = [ts.time for ts in u.trajectory] 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFReader4::test_dt 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/test_netcdf.py:322: UserWarning: Reader has no dt information, set to 1.0 ps 1292s assert u.trajectory.ts.dt == pytest.approx(ref) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriter::test_write_trajectory_netCDF4 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriterTZ2::test_write_trajectory_netCDF4 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/test_netcdf.py:700: RuntimeWarning: Cannot close a netcdf_file opened with mmap=True, when netcdf_variables or arrays referring to its data still exist. All data arrays obtained from such files refer directly to data on disk, and must be copied before the file can be cleanly closed. (See netcdf_file docstring for more information on mmap.) 1292s return self._test_write_trajectory(universe, outfile) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriter::test_write_trajectory_netcdf 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriterTZ2::test_write_trajectory_netcdf 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestScipyScaleFactors::test_write_read_factors_default 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestScipyScaleFactors::test_write_read_write[-2.0--2.0--2.0--2.0--2.0--2.0] 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestScipyScaleFactors::test_write_read_write[1.0-1.0-1.0-1.0-1.0-1.0] 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestScipyScaleFactors::test_write_read_write[2.0-4.0-8.0-16.0-32.0-64.0] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRJ.py:969: UserWarning: Could not find netCDF4 module. Falling back to MUCH slower scipy.io.netcdf implementation for writing. 1292s warnings.warn(wmsg) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriter::test_write_trajectory_netcdf 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriterTZ2::test_write_trajectory_netcdf 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/test_netcdf.py:711: RuntimeWarning: Cannot close a netcdf_file opened with mmap=True, when netcdf_variables or arrays referring to its data still exist. All data arrays obtained from such files refer directly to data on disk, and must be copied before the file can be cleanly closed. (See netcdf_file docstring for more information on mmap.) 1292s return self._test_write_trajectory(universe, outfile) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 19 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 15 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'chainIDs' Using default value of '' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py: 2 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 28 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py: 1 warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 15 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s testsuite/MDAnalysisTests/utils/test_modelling.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1200: UserWarning: Found missing chainIDs. Corresponding atoms will use value of 'X' 1292s warnings.warn("Found missing chainIDs." 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriterUnits::test_writer_units[coordinates-angstrom] 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriterUnits::test_writer_units[time-picosecond] 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriterUnits::test_writer_units[cell_lengths-angstrom] 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriterUnits::test_writer_units[cell_angles-degree] 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriterUnits::test_writer_units[velocities-angstrom/picosecond] 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriterUnits::test_writer_units[forces-kilocalorie/mole/angstrom] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRJ.py:1134: UserWarning: Reader has no dt information, set to 1.0 ps 1292s time = ts.time 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_netcdf.py::TestNCDFWriterErrorsWarnings::test_zero_atoms_VE 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1612, in __del__ 1292s self.close() 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRJ.py", line 1184, in close 1292s if self.trjfile is not None: 1292s ^^^^^^^^^^^^ 1292s AttributeError: 'NCDFWriter' object has no attribute 'trjfile' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestPDBWriter::test_writer_no_resnames 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[MultiPDBWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[PDBWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[MultiPDBWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[PDBWriter] 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py::test_nojump_iterate_twice 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'resnames' Using default value of 'UNK' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 8 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'segids' Using default value of ' ' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestPDBWriter::test_writer_no_resids 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[MultiPDBWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[PDBWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[MultiPDBWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[PDBWriter] 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py::test_nojump_iterate_twice 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'resids' Using default value of '1' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py: 6 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py: 4 warnings 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1153: UserWarning: Found no information for attr: 'names' Using default value of 'X' 1292s warnings.warn("Found no information for attr: '{}'" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestPDBWriter::test_chainid_validated[@] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1196: UserWarning: Found chainIDs using unnaccepted character. Corresponding atoms will use value of 'X' 1292s warnings.warn("Found chainIDs using unnaccepted character." 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestPDBWriter::test_chainid_validated[AA] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDB.py:1192: UserWarning: Found chainIDs with invalid length. Corresponding atoms will use value of 'X' 1292s warnings.warn("Found chainIDs with invalid length." 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestPDBXLSerial::test_load 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/PDBParser.py:304: UserWarning: Serial numbers went over 100,000. Higher serials have been guessed 1292s warnings.warn("Serial numbers went over 100,000. " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestPDBXLSerial::test_load 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/PDBParser.py:423: UserWarning: Invalid atom serials were present, bonds will not be parsed 1292s warnings.warn("Invalid atom serials were present, bonds will not" 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestPDBXLSerial::test_load 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/PDBParser.py:215: UserWarning: Invalid atom serials were present, bonds will not be parsed 1292s warnings.warn("Invalid atom serials were present, " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdb.py::TestWriterAlignments::test_atomname_alignment 1292s testsuite/MDAnalysisTests/topology/test_pdb.py::test_wrong_elements_warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/PDBParser.py:348: UserWarning: Unknown element found for some atoms. These have been given an empty element record. If needed they can be guessed using MDAnalysis.topology.guessers. 1292s warnings.warn(wmsg) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdbqt.py: 13 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 2 warnings 1292s testsuite/MDAnalysisTests/topology/test_pdbqt.py: 9 warnings 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py: 5 warnings 1292s testsuite/MDAnalysisTests/utils/test_streamio.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HD 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdbqt.py: 13 warnings 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 2 warnings 1292s testsuite/MDAnalysisTests/topology/test_pdbqt.py: 9 warnings 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py: 5 warnings 1292s testsuite/MDAnalysisTests/utils/test_streamio.py: 1 warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: OA 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdbqt.py::TestPDBQTWriter::test_write_no_charges 1292s testsuite/MDAnalysisTests/coordinates/test_pdbqt.py::TestPDBQTWriter::test_write_no_chainids_with_segids 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: Ty 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_pdbqt.py::TestPDBQTWriter::test_write_no_chainids_with_segids 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDBQT.py:296: UserWarning: Supplied AtomGroup was missing the following attributes: altLocs, charges, icodes, occupancies, tempfactors. These will be written with default values. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py::TestTimestep::test_delete_dt 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py:306: UserWarning: Reader has no dt information, set to 1.0 ps 1292s assert_equal(ts.dt, 1.0) # default value 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py::TestTimestep::test_delete_time 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py:327: UserWarning: Reader has no dt information, set to 1.0 ps 1292s assert_equal(ts.time, 0.0) # default to 1.0 (dt) * 0 (frame) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_timestep_api.py: 13 warnings 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/coordinates/test_timestep_api.py:686: UserWarning: Reader has no dt information, set to 1.0 ps 1292s assert_equal(universe.trajectory.dt, universe.trajectory.ts.dt) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_tng.py::test_pytng_not_present_raises 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1530, in __del__ 1292s for aux in self.aux_list: 1292s ^^^^^^^^^^^^^ 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1170, in aux_list 1292s return self._auxs.keys() 1292s ^^^^^^^^^^ 1292s AttributeError: 'TNGReader' object has no attribute '_auxs' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_trc.py::TestTRCReaderTriclinicBox::test_trc_n_atoms 1292s testsuite/MDAnalysisTests/coordinates/test_trc.py::TestTRCReaderTruncOctBox::test_universe 1292s testsuite/MDAnalysisTests/coordinates/test_trc.py::TestTRCGenboxOrigin::test_universe 1292s testsuite/MDAnalysisTests/coordinates/test_trc.py::TestTRCGenboxEuler::test_universe 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRC.py:265: UserWarning: The trajectory does not contain TIMESTEP blocks! 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_trj.py::test_trj_no_natoms 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1532, in __del__ 1292s self.close() 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRJ.py", line 352, in close 1292s if self.trjfile is None: 1292s ^^^^^^^^^^^^ 1292s AttributeError: 'TRJReader' object has no attribute 'trjfile' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::test_deprecated_trz_writer 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZWriter2::test_writer_trz_from_other 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZWriter2::test_no_dt_warning 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRZ.py:546: UserWarning: Reader has no dt information, set to 1.0 ps 1292s data['time'] = ts.time 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::test_deprecated_trz_writer 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZReader::test_read_zero_box 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZWriter::test_no_box_warning 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZWriter2::test_writer_trz_from_other 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZWriter2::test_no_dt_warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[TRZWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[TRZWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRZ.py:551: UserWarning: Timestep didn't have the following attributes: 'pressure, pressure_tensor, total_energy, potential_energy, kinetic_energy, temperature, step', these will be set to 0 in the output trajectory 1292s warnings.warn("Timestep didn't have the following attributes: '{0}', " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::test_deprecated_trz_writer 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZReader::test_read_zero_box 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZWriter::test_no_box_warning 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZWriter2::test_writer_trz_from_other 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZWriter2::test_no_dt_warning 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[TRZWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[TRZWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRZ.py:567: UserWarning: Timestep didn't have velocity information, this will be set to zero in output trajectory. 1292s warnings.warn("Timestep didn't have velocity information, " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZReader::test_read_zero_box 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[TRZWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[TRZWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRZ.py:559: UserWarning: Timestep didn't have dimensions information, box will be written as all zero values 1292s warnings.warn("Timestep didn't have dimensions information, " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_trz.py::TestTRZWriter::test_long_title 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/base.py", line 1612, in __del__ 1292s self.close() 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRZ.py", line 605, in close 1292s if self.trzfile is None: 1292s ^^^^^^^^^^^^ 1292s AttributeError: 'TRZWriter' object has no attribute 'trzfile' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_txyz.py::test_arcpbc_traj_length 1292s testsuite/MDAnalysisTests/coordinates/test_txyz.py::test_pbc_boxsize 1292s testsuite/MDAnalysisTests/topology/test_txyz.py::test_missing_elements_noattribute 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CH2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_txyz.py::test_arcpbc_traj_length 1292s testsuite/MDAnalysisTests/coordinates/test_txyz.py::test_pbc_boxsize 1292s testsuite/MDAnalysisTests/topology/test_txyz.py::test_missing_elements_noattribute 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CH3 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_txyz.py::test_arcpbc_traj_length 1292s testsuite/MDAnalysisTests/coordinates/test_txyz.py::test_pbc_boxsize 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/TXYZParser.py:139: UserWarning: Element information is missing, elements attribute will not be populated. If needed these can be guessed using MDAnalysis.topology.guessers. 1292s warnings.warn("Element information is missing, elements attribute " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_ts_error[TRZWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[TRZWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[TRZWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRZ.py:428: DeprecationWarning: The TRZ writer is deprecated and will be removed in MDAnalysis version 3.0.0 1292s warnings.warn(wmsg, DeprecationWarning) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[CRDWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[CRDWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/CRD.py:248: UserWarning: Supplied AtomGroup was missing the following attributes: resnames, resids, names, tempfactors, tempfactors. These will be written with default values. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[GROWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[GROWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/GRO.py:421: UserWarning: Supplied AtomGroup was missing the following attributes: names, resnames, resids. These will be written with default values. Alternatively these can be supplied as keyword arguments. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[PDBQTWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[PDBQTWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PDBQT.py:296: UserWarning: Supplied AtomGroup was missing the following attributes: altLocs, charges, icodes, names, occupancies, resids, resnames, tempfactors, types, chainids. These will be written with default values. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[PQRWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[PQRWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/PQR.py:301: UserWarning: Supplied AtomGroup was missing the following attributes: names, resnames, resids, charges, radii. These will be written with default values. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_atomgroup[XYZWriter] 1292s testsuite/MDAnalysisTests/coordinates/test_writer_api.py::test_write_with_universe[XYZWriter] 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/XYZ.py:193: UserWarning: Input AtomGroup or Universe does not have atom elements or names attributes, writer will default atom names to 'X' 1292s warnings.warn(wmsg) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestXTCWriterSingleFrame::test_single_frame_GRO 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestXTCWriterSingleFrame::test_single_frame_PDB 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestXTCWriterSingleFrame::test_single_frame_CRD 1292s testsuite/MDAnalysisTests/visualization/test_streamlines.py::test_streamplot_2D 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/XTC.py:105: UserWarning: Reader has no dt information, set to 1.0 ps 1292s time = ts.time 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestTRRWriterSingleFrame::test_single_frame_GRO 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestTRRWriterSingleFrame::test_single_frame_PDB 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestTRRWriterSingleFrame::test_single_frame_CRD 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/TRR.py:116: UserWarning: Reader has no dt information, set to 1.0 ps 1292s time = ts.time 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestXTCWriter_2::test_no_container 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/XDR.py", line 324, in __del__ 1292s self.close() 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/XDR.py", line 321, in close 1292s self._xdr.close() 1292s ^^^^^^^^^ 1292s AttributeError: 'XTCWriter' object has no attribute '_xdr' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestTRRWriter_2::test_no_container 1292s /usr/lib/python3/dist-packages/_pytest/unraisableexception.py:85: PytestUnraisableExceptionWarning: Exception ignored in: 1292s 1292s Traceback (most recent call last): 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/XDR.py", line 324, in __del__ 1292s self.close() 1292s File "/usr/lib/python3/dist-packages/MDAnalysis/coordinates/XDR.py", line 321, in close 1292s self._xdr.close() 1292s ^^^^^^^^^ 1292s AttributeError: 'TRRWriter' object has no attribute '_xdr' 1292s 1292s warnings.warn(pytest.PytestUnraisableExceptionWarning(msg)) 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestXTCReader_offsets::test_reload_offsets_if_offsets_readin_io_fails 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestXTCReader_offsets::test_reload_offsets_if_offsets_readin_value_fails 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/XDR.py:222: UserWarning: Reading offsets from /tmp/pytest-of-ubuntu/pytest-0/xtc0/.adk_oplsaa.xtc_offsets.npz failed, reading offsets from trajectory instead. 1292s Consider setting 'refresh_offsets=True' when loading your Universe. 1292s warnings.warn(f"Reading offsets from {fname} failed, " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestXTCReader_offsets::test_persistent_offsets_readonly 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/XDR.py:202: UserWarning: Cannot write lock/offset file in same location as /tmp/pytest-of-ubuntu/pytest-0/test_persistent_offsets_readon0/adk_oplsaa.xtc. Using slow offset calculation. 1292s warnings.warn(f"Cannot write lock/offset file in same location as " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestTRRReader_offsets::test_reload_offsets_if_offsets_readin_io_fails 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestTRRReader_offsets::test_reload_offsets_if_offsets_readin_value_fails 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/XDR.py:222: UserWarning: Reading offsets from /tmp/pytest-of-ubuntu/pytest-0/xtc1/.adk_oplsaa.trr_offsets.npz failed, reading offsets from trajectory instead. 1292s Consider setting 'refresh_offsets=True' when loading your Universe. 1292s warnings.warn(f"Reading offsets from {fname} failed, " 1292s 1292s testsuite/MDAnalysisTests/coordinates/test_xdr.py::TestTRRReader_offsets::test_persistent_offsets_readonly 1292s /usr/lib/python3/dist-packages/MDAnalysis/coordinates/XDR.py:202: UserWarning: Cannot write lock/offset file in same location as /tmp/pytest-of-ubuntu/pytest-0/test_persistent_offsets_readon0/adk_oplsaa.trr. Using slow offset calculation. 1292s warnings.warn(f"Cannot write lock/offset file in same location as " 1292s 1292s testsuite/MDAnalysisTests/core/test_accumulate.py::TestAccumulate::test_accumulate_different_func[atoms] 1292s testsuite/MDAnalysisTests/core/test_accumulate.py::TestAccumulate::test_accumulate_different_func[residues] 1292s testsuite/MDAnalysisTests/core/test_accumulate.py::TestAccumulate::test_accumulate_different_func[segments] 1292s /usr/lib/python3/dist-packages/numpy/core/fromnumeric.py:88: RuntimeWarning: overflow encountered in reduce 1292s return ufunc.reduce(obj, axis, dtype, out, **passkwargs) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CB 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CD 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CD1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CD2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CE 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CE1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CE2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CG 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CG1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CG2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: CZ 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HA 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HA1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HA2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HB 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HB1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HB2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HB3 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HD1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HD11 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HD12 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HD13 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HD2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HD21 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HD22 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HD23 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HD3 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HE1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HE2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HE21 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HE22 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HE3 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HG 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HG1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HG11 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HG12 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HG13 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HG2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HG21 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HG22 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HG23 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HH 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HH11 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HH12 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HH21 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HH22 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HN 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HT1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HT2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HT3 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HZ 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HZ1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HZ2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: HZ3 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: ND1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: ND2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: NE2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: NH1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: NH2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: NZ 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: OD1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: OD2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: OE1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: OE2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: OG 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: OG1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: OH 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: OT1 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: OT2 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: SD 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.gz-xyz] 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py::TestAtomGroupWriting::test_write_frame_none[.bz2-xyz] 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: SG 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 17 warnings 1292s testsuite/MDAnalysisTests/core/test_universe.py: 2 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:833: DeprecationWarning: The bfactor topology attribute is only provided as an alias to the tempfactor attribute. It will be removed in 3.0. Please use the tempfactor attribute instead. 1292s warnings.warn(BFACTOR_WARNING, DeprecationWarning) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 20 warnings 1292s testsuite/MDAnalysisTests/core/test_universe.py: 4 warnings 1292s testsuite/MDAnalysisTests/topology/test_mmtf.py: 3 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/topologyattrs.py:295: DeprecationWarning: The bfactor topology attribute is only provided as an alias to the tempfactor attribute. It will be removed in 3.0. Please use the tempfactor attribute instead. 1292s warnings.warn(BFACTOR_WARNING, DeprecationWarning) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 7 warnings 1292s testsuite/MDAnalysisTests/core/test_atomselections.py: 27 warnings 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py: 5 warnings 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py: 3 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/adk_oplsaa.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 7 warnings 1292s testsuite/MDAnalysisTests/core/test_wrap.py: 3 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/groups.py:1074: RuntimeWarning: invalid value encountered in divide 1292s return np.einsum('ij,ij->j',coords,weights[:, None]) / weights.sum() 1292s 1292s testsuite/MDAnalysisTests/core/test_atomgroup.py: 19 warnings 1292s testsuite/MDAnalysisTests/core/test_wrap.py: 12 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/groups.py:1104: RuntimeWarning: invalid value encountered in divide 1292s _centers /= _weights.sum(axis=1)[:, None] 1292s 1292s testsuite/MDAnalysisTests/core/test_atomselections.py::TestSelectionsNucleicAcids::test_nucleic 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/analysis/1k5i_c36.psf.gz. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/core/test_atomselections.py::test_mass_sel[mass -10 -3-0-selkwargs11] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/selection.py:988: SelectionWarning: Using float equality to select atoms is not recommended because of inherent limitations in representing numbers on computers (see https://docs.python.org/3.8/tutorial/floatingpoint.html for more). Instead, we recommend using a range to select, e.g. 'mass -11.0 to -9.0'. If you still want to compare floats, use the `atol` and `rtol` keywords to modify the tolerance for `np.isclose`. 1292s warnings.warn(msg, category=SelectionWarning) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomselections.py::test_mass_sel[mass -10 -3-0-selkwargs11] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/selection.py:988: SelectionWarning: Using float equality to select atoms is not recommended because of inherent limitations in representing numbers on computers (see https://docs.python.org/3.8/tutorial/floatingpoint.html for more). Instead, we recommend using a range to select, e.g. 'mass -4.0 to -2.0'. If you still want to compare floats, use the `atol` and `rtol` keywords to modify the tolerance for `np.isclose`. 1292s warnings.warn(msg, category=SelectionWarning) 1292s 1292s testsuite/MDAnalysisTests/core/test_atomselections.py::test_mass_sel[mass 0.3-5-selkwargs12] 1292s testsuite/MDAnalysisTests/core/test_atomselections.py::test_mass_sel[mass 0.3-5-selkwargs13] 1292s testsuite/MDAnalysisTests/core/test_atomselections.py::test_mass_sel[mass 0.30000000000000004-5-selkwargs15] 1292s testsuite/MDAnalysisTests/core/test_atomselections.py::test_mass_sel[mass 0.3 0.30000000000000001-5-selkwargs16] 1292s testsuite/MDAnalysisTests/core/test_atomselections.py::test_mass_sel[mass 0.3-10-selkwargs17] 1292s testsuite/MDAnalysisTests/core/test_atomselections.py::test_mass_sel[mass 0.30000000000000004-10-selkwargs18] 1292s testsuite/MDAnalysisTests/core/test_atomselections.py::test_mass_sel[mass 0.3 0.30000000000000001-10-selkwargs19] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/selection.py:988: SelectionWarning: Using float equality to select atoms is not recommended because of inherent limitations in representing numbers on computers (see https://docs.python.org/3.8/tutorial/floatingpoint.html for more). Instead, we recommend using a range to select, e.g. 'mass -0.7 to 1.3'. If you still want to compare floats, use the `atol` and `rtol` keywords to modify the tolerance for `np.isclose`. 1292s warnings.warn(msg, category=SelectionWarning) 1292s 1292s testsuite/MDAnalysisTests/core/test_groups.py::TestDecorator::test_wrap_and_unwrap_deprecation[True-True-fragments] 1292s testsuite/MDAnalysisTests/core/test_groups.py::TestDecorator::test_wrap_and_unwrap_deprecation[True-True-molecules] 1292s testsuite/MDAnalysisTests/core/test_groups.py::TestDecorator::test_wrap_and_unwrap_deprecation[True-True-residues] 1292s testsuite/MDAnalysisTests/core/test_groups.py::TestDecorator::test_wrap_and_unwrap_deprecation[True-True-group] 1292s testsuite/MDAnalysisTests/core/test_groups.py::TestDecorator::test_wrap_and_unwrap_deprecation[True-True-segments] 1292s testsuite/MDAnalysisTests/transformations/test_rotate.py::test_rotateby_atomgroup_cog_pbc 1292s testsuite/MDAnalysisTests/transformations/test_rotate.py::test_rotateby_atomgroup_com_pbc 1292s testsuite/MDAnalysisTests/transformations/test_translate.py::test_center_in_box_coords_all_options 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/groups.py:445: DeprecationWarning: The 'pbc' kwarg has been deprecated and will be removed in version 3.0., please use 'wrap' instead 1292s warnings.warn("The 'pbc' kwarg has been deprecated and will be " 1292s 1292s testsuite/MDAnalysisTests/core/test_topologyattrs.py::TestDeprecateBFactor::test_deprecate_bfactor_sel 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/selection.py:988: SelectionWarning: Using float equality to select atoms is not recommended because of inherent limitations in representing numbers on computers (see https://docs.python.org/3.8/tutorial/floatingpoint.html for more). Instead, we recommend using a range to select, e.g. 'bfactor 2.0 to 4.0'. If you still want to compare floats, use the `atol` and `rtol` keywords to modify the tolerance for `np.isclose`. 1292s warnings.warn(msg, category=SelectionWarning) 1292s 1292s testsuite/MDAnalysisTests/lib/test_distances.py::TestCythonFunctions::test_numpy_compliance_angles[serial] 1292s testsuite/MDAnalysisTests/lib/test_distances.py::TestCythonFunctions::test_numpy_compliance_angles[openmp] 1292s testsuite/MDAnalysisTests/lib/test_distances.py::TestCythonFunctions::test_numpy_compliance_dihedrals[serial] 1292s testsuite/MDAnalysisTests/lib/test_distances.py::TestCythonFunctions::test_numpy_compliance_dihedrals[openmp] 1292s testsuite/MDAnalysisTests/lib/test_util.py::TestGeometryFunctions::test_vectors[x_axis5-y_axis5-nan] 1292s /usr/lib/python3/dist-packages/MDAnalysis/lib/mdamath.py:156: RuntimeWarning: invalid value encountered in scalar divide 1292s x = np.dot(a, b) / (norm(a) * norm(b)) 1292s 1292s testsuite/MDAnalysisTests/lib/test_nsgrid.py::test_issue_2345 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: AG 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/lib/test_util.py: 48 warnings 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/lib/test_util.py:293: RuntimeWarning: invalid value encountered in sqrt 1292s ref[2, 2] = np.sqrt(z * z - ref[2, 0] ** 2 - ref[2, 1] ** 2) 1292s 1292s testsuite/MDAnalysisTests/lib/test_util.py: 53 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/lib/mdamath.py:392: RuntimeWarning: invalid value encountered in sqrt 1292s box_matrix[2, 2] = np.sqrt(lz * lz - box_matrix[2, 0] ** 2 - 1292s 1292s testsuite/MDAnalysisTests/lib/test_util.py: 339 warnings 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/lib/test_util.py:324: RuntimeWarning: invalid value encountered in scalar divide 1292s a = np.rad2deg(np.arccos(np.dot(tri_vecs[1], tri_vecs[2]) / (y * z))) 1292s 1292s testsuite/MDAnalysisTests/lib/test_util.py: 363 warnings 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/lib/test_util.py:325: RuntimeWarning: invalid value encountered in scalar divide 1292s b = np.rad2deg(np.arccos(np.dot(tri_vecs[0], tri_vecs[2]) / (x * z))) 1292s 1292s testsuite/MDAnalysisTests/lib/test_util.py: 756 warnings 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/lib/test_util.py:326: RuntimeWarning: invalid value encountered in scalar divide 1292s c = np.rad2deg(np.arccos(np.dot(tri_vecs[0], tri_vecs[1]) / (x * y))) 1292s 1292s testsuite/MDAnalysisTests/lib/test_util.py: 43 warnings 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/lib/test_util.py:315: RuntimeWarning: invalid value encountered in scalar divide 1292s ref[2, 1] = z * (cos_a - cos_b * cos_c) / sin_c 1292s 1292s testsuite/MDAnalysisTests/lib/test_util.py: 17 warnings 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/lib/test_util.py:315: RuntimeWarning: divide by zero encountered in scalar divide 1292s ref[2, 1] = z * (cos_a - cos_b * cos_c) / sin_c 1292s 1292s testsuite/MDAnalysisTests/lib/test_util.py: 14 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: E 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py::test_multiprocess_COG[u2] 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py::test_multiprocess_COG[u3] 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py::test_multiprocess_COG[u4] 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py::test_multiprocess_COG[u5] 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py::test_multiprocess_COG[u6] 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py::test_multiprocess_COG[u7] 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py::test_multiprocess_COG[u10] 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py::test_multiprocess_COG[u11] 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py::test_multiprocess_COG[u14] 1292s /usr/lib/python3.12/multiprocessing/reduction.py:51: UserWarning: Reader has no dt information, set to 1.0 ps 1292s cls(buf, protocol).dump(obj) 1292s 1292s testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py: 23 warnings 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/parallelism/test_multiprocessing.py:216: UserWarning: Reader has no dt information, set to 1.0 ps 1292s ps = pickle.dumps(ref_reader) 1292s 1292s testsuite/MDAnalysisTests/parallelism/test_pickle_transformation.py::test_add_PositionAverager_pickle[u0] 1292s testsuite/MDAnalysisTests/transformations/test_positionaveraging.py::test_posavging_fwd 1292s testsuite/MDAnalysisTests/transformations/test_positionaveraging.py::test_posavging_bwd 1292s testsuite/MDAnalysisTests/transformations/test_positionaveraging.py::test_posavging_reset 1292s testsuite/MDAnalysisTests/transformations/test_positionaveraging.py::test_posavging_specific 1292s /usr/lib/python3/dist-packages/MDAnalysis/transformations/positionaveraging.py:193: Warning: Cannot average position for non sequentialiterations. Averager will be reset. 1292s warnings.warn('Cannot average position for non sequential' 1292s 1292s testsuite/MDAnalysisTests/topology/test_guessers.py::TestGuessMasses::test_guess_masses_miss 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: Z 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/topology/test_hoomdxml.py::TestHoomdXMLParser::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py::test_str_types[XML-/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/C12x64.xml.bz2-name] 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py::test_str_types[XML-/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/C12x64.xml.bz2-resname] 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py::test_str_types[XML-/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/C12x64.xml.bz2-type] 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py::test_str_types[XML-/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/C12x64.xml.bz2-segid] 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py::test_str_types[XML-/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/C12x64.xml.bz2-moltype] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/C12x64.xml.bz2. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_itp.py: 10 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/gromacs_ala10.itp. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestITPNoMass::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestITPNoMass::test_mass_guess 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/itp_nomass.itp. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestITPAtomtypes::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestITPAtomtypes::test_charge_parse 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestITPAtomtypes::test_mass_parse_or_guess 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/atomtypes_charge.itp. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestDifferentDirectivesITP::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestDifferentDirectivesITP::test_bonds_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestDifferentDirectivesITP::test_dihedrals_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestDifferentDirectivesITP::test_dihedrals_identity 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/edited_itp.itp. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestITPNoKeywords::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestITPNoKeywords::test_whether_settles_types 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestITPKeywords::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestITPKeywords::test_whether_settles_types 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tip5p.itp. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestNestedIfs::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestNestedIfs::test_heavy_atom 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/spce.itp. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestReadTop::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestReadTop::test_sequential 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/gromacs_ala10.top. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestRelativePath::test_relstring 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestRelativePath::test_relpath 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for ../sub1/test.itp. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_itp.py::TestRelativePath::test_relative_path 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for ../test.itp. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_pdb.py::test_PDB_no_resid 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/PDBParser.py:290: UserWarning: PDB file is missing resid information. Defaulted to '1' 1292s warnings.warn("PDB file is missing resid information. " 1292s 1292s testsuite/MDAnalysisTests/topology/test_pdb.py::test_wrong_elements_warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/guessers.py:146: UserWarning: Failed to guess the mass for the following atom types: XX 1292s warnings.warn("Failed to guess the mass for the following atom types: {}".format(atom_type)) 1292s 1292s testsuite/MDAnalysisTests/topology/test_psf.py::TestPSFParser::test_creates_universe[bz2] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/pytest-of-ubuntu/pytest-0/test_creates_universe_bz2_0/file.psf.bz2. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_psf.py::TestPSFParser::test_bonds_atom_counts[bz2] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/pytest-of-ubuntu/pytest-0/test_bonds_atom_counts_bz2_0/file.psf.bz2. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_psf.py::TestPSFParser::test_angles_atom_counts[bz2] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/pytest-of-ubuntu/pytest-0/test_angles_atom_counts_bz2_0/file.psf.bz2. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_psf.py::TestPSFParser::test_dihedrals_atom_counts[bz2] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/pytest-of-ubuntu/pytest-0/test_dihedrals_atom_counts_bz20/file.psf.bz2. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_psf.py::TestNAMDPSFParser::test_creates_universe 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/namd_cgenff.psf. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_psf.py::TestPSFParser2::test_creates_universe 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/2r9r-1b.psf. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_psf.py::TestPSFParserNoTop::test_creates_universe 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/adk_notop.psf. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_psf.py::test_psf_nosegid 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/nosegid.psf. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_top.py: 5 warnings 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py: 5 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/Amber/ache.prmtop. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMChainidParser::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMChainidParser::test_bonds_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMChainidParser::test_angles_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMChainidParser::test_dihedrals_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMChainidParser::test_impropers_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMChainidParser::test_chainIDs 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/Amber/ache_chainid.prmtop.bz2. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_top.py: 5 warnings 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py: 5 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/Amber/anti.top. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_top.py: 5 warnings 1292s testsuite/MDAnalysisTests/topology/test_topology_str_types.py: 5 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/Amber/tz2.truncoct.parm7.bz2. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRM2::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRM2::test_bonds_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRM2::test_angles_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRM2::test_dihedrals_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRM2::test_impropers_atom_counts 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/Amber/capped-ala.prmtop. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMNCRST::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMNCRST::test_bonds_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMNCRST::test_angles_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMNCRST::test_dihedrals_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMNCRST::test_impropers_atom_counts 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/Amber/ace_mbondi3.parm7. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_top.py: 42 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/topology/TOPParser.py:306: UserWarning: Unknown ATOMIC_NUMBER value found for some atoms, these have been given an empty element record. If needed these can be guessed using MDAnalysis.topology.guessers. 1292s warnings.warn(msg) 1292s 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMNCRST_negative::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMNCRST_negative::test_bonds_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMNCRST_negative::test_angles_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMNCRST_negative::test_dihedrals_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMNCRST_negative::test_impropers_atom_counts 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/Amber/ace_mbondi3.negative.parm7. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMEP::test_creates_universe 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMEP::test_bonds_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMEP::test_angles_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMEP::test_dihedrals_atom_counts 1292s testsuite/MDAnalysisTests/topology/test_top.py::TestPRMEP::test_impropers_atom_counts 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/Amber/ala.ff19SB.OPC.parm7.bz2. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.2.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.2.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.3.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.3.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.4.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.4.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.5.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.5.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.6.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.6.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.7.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.0.7.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.1.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.1.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.2.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.2.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.3.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.3.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.4.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.4.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.5.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_4.5.5.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_5.0.2.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_5.0.2.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_5.0.4.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_5.0.4.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_5.0.5.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_5.0.5.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_5.1.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_5.1.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2016.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2016.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2018.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2018.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2019-beta3.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2019-beta3.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2020.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2020.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2020_double.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2020_double.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2021.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2021.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2021_double.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2021_double.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2022-rc1.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2022-rc1.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRGromacsVersions::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2023.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/2lyz_gmx_2023.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPRDouble::test_creates_universe 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/drew_gmx_4.5.5.double.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPR46x::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/ab42_gmx_4.6.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/ab42_gmx_4.6.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/topology/test_tprparser.py::TestTPR46x::test_creates_universe[/tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/ab42_gmx_4.6.1.tpr] 1292s /usr/lib/python3/dist-packages/MDAnalysis/core/universe.py:147: UserWarning: No coordinate reader found for /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/data/tprs/ab42_gmx_4.6.1.tpr. Skipping this file. 1292s warnings.warn('No coordinate reader found for {}. Skipping ' 1292s 1292s testsuite/MDAnalysisTests/transformations/test_fit.py::test_fit_translation_no_masses 1292s /usr/lib/python3/dist-packages/MDAnalysis/analysis/align.py:1509: SelectionWarning: Atoms could not be matched since they don't contain masses. 1292s warnings.warn(msg, category=SelectionWarning) 1292s 1292s testsuite/MDAnalysisTests/transformations/test_nojump.py::test_nojump_constantvel_stride_2 1292s /usr/lib/python3/dist-packages/MDAnalysis/transformations/nojump.py:139: UserWarning: NoJump detected that the interval between frames is unequal.We are resetting the reference frame to the current timestep. 1292s warnings.warn( 1292s 1292s testsuite/MDAnalysisTests/utils/test_persistence.py::TestAtomGroupPickle::test_unpickle 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/utils/test_persistence.py:60: UserWarning: Reader has no dt information, set to 1.0 ps 1292s return pickle.dumps(ag, protocol=pickle.HIGHEST_PROTOCOL) 1292s 1292s testsuite/MDAnalysisTests/utils/test_persistence.py::TestAtomGroupPickle::test_pickle_unpickle_empty 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/utils/test_persistence.py:86: UserWarning: Reader has no dt information, set to 1.0 ps 1292s pickle_str = pickle.dumps(ag, protocol=pickle.HIGHEST_PROTOCOL) 1292s 1292s testsuite/MDAnalysisTests/utils/test_persistence.py::TestAtomGroupPickle::test_unpickle_two_ag 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/utils/test_persistence.py:65: UserWarning: Reader has no dt information, set to 1.0 ps 1292s return pickle.dumps((ag, ag_2), protocol=pickle.HIGHEST_PROTOCOL) 1292s 1292s testsuite/MDAnalysisTests/utils/test_persistence.py::TestAtomGroupPickle::test_unpickle_ag_with_universe_f 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/utils/test_persistence.py:70: UserWarning: Reader has no dt information, set to 1.0 ps 1292s return pickle.dumps((universe, ag), protocol=pickle.HIGHEST_PROTOCOL) 1292s 1292s testsuite/MDAnalysisTests/utils/test_persistence.py::TestAtomGroupPickle::test_unpickle_ag_with_universe 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/utils/test_persistence.py:75: UserWarning: Reader has no dt information, set to 1.0 ps 1292s return pickle.dumps((ag, universe), protocol=pickle.HIGHEST_PROTOCOL) 1292s 1292s testsuite/MDAnalysisTests/utils/test_persistence.py::TestPicklingUpdatingAtomGroups::test_pickling_uag 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/utils/test_persistence.py:123: UserWarning: Reader has no dt information, set to 1.0 ps 1292s pickle_str = pickle.dumps(uag, protocol=pickle.HIGHEST_PROTOCOL) 1292s 1292s testsuite/MDAnalysisTests/utils/test_persistence.py::TestPicklingUpdatingAtomGroups::test_pickling_uag_of_uag 1292s /tmp/autopkgtest.nyWww9/build.wZv/src/testsuite/MDAnalysisTests/utils/test_persistence.py:131: UserWarning: Reader has no dt information, set to 1.0 ps 1292s pickle_str = pickle.dumps(uag2, protocol=pickle.HIGHEST_PROTOCOL) 1292s 1292s testsuite/MDAnalysisTests/utils/test_streamio.py: 10 warnings 1292s /usr/lib/python3/dist-packages/MDAnalysis/lib/util.py:676: RuntimeWarning: Constructed NamedStream from a NamedStream 1292s warnings.warn("Constructed NamedStream from a NamedStream", 1292s 1292s testsuite/MDAnalysisTests/utils/test_units.py::TestConstants::test_constant[Boltzman_constant-0.008314462159] 1292s /usr/lib/python3/dist-packages/MDAnalysis/units.py:183: DeprecationWarning: Please use 'Boltzmann_constant' henceforth. The key 'Boltzman_constant' was a typo and will be removed in MDAnalysis 2.8.0. 1292s warnings.warn(wmsg, DeprecationWarning) 1292s 1292s -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html 1292s = 18632 passed, 594 skipped, 7 xfailed, 2 xpassed, 8131 warnings in 886.10s (0:14:46) = 1315s 1315s DueCredit Report: 1315s - Molecular simulation analysis library / MDAnalysis (v 2.7.0) [1, 2] 1315s - Bond-Angle-Torsions Coordinate Transformation / MDAnalysis.analysis.bat.BAT (v 2.7.0) [3] 1315s - Dielectric analysis / MDAnalysis.analysis.dielectric (v 2.7.0) [4] 1315s - ENCORE Ensemble Comparison / MDAnalysis.analysis.encore (v 2.7.0) [5] 1315s - HOLE trajectory analysis with orderparameters, HOLE program / MDAnalysis.analysis.hole2 (v 2.7.0) [6, 7, 8] 1315s - Hydrogen bond analysis implementation / MDAnalysis.analysis.hydrogenbonds.hbond_analysis (v 2.7.0) [9] 1315s - Hydrogen bonding autocorrelation time / MDAnalysis.analysis.hydrogenbonds.hbond_autocorrel (v 2.7.0) [10] 1315s - LeafletFinder algorithm / MDAnalysis.analysis.leaflet (v 2.7.0) [2] 1315s - Mean Squared Displacements with tidynamics, FCA fast correlation algorithm / MDAnalysis.analysis.msd (v 2.7.0) [11, 12] 1315s - Cumulative overlap / MDAnalysis.analysis.pca (v 2.7.0) [13] 1315s - Path Similarity Analysis algorithm and implementation / MDAnalysis.analysis.psa (v 2.7.0) [14] 1315s - MDAnalysis trajectory reader/writer of the H5MDformat, Specifications of the H5MD standard / MDAnalysis.coordinates.H5MD (v 1.1, 2.7.0) [15, 16] 1315s - MMTF Reader / MDAnalysis.coordinates.MMTF (v 2.7.0) [17] 1315s - The TNG paper / MDAnalysis.coordinates.TNG (v 2.7.0) [18] 1315s - QCProt implementation / MDAnalysis.lib.qcprot (v 2.7.0) [19, 20] 1315s - MMTF Parser / MDAnalysis.topology.MMTFParser (v 2.7.0) [17] 1315s - Works through the orthogonal case for unwrapping, and proposes the non-orthogonal approach. / MDAnalysis.transformations.nojump (v 2.7.0) [21] 1315s - Scientific tools library / numpy (v 1.26.4) [22] 1315s 1315s 2 packages cited 1315s 16 modules cited 1315s 0 functions cited 1315s 1315s References 1315s ---------- 1315s 1315s [1] Gowers, R. et al., 2016. MDAnalysis: A Python Package for the Rapid Analysis of Molecular Dynamics Simulations. In Proceedings of the 15th Python in Science Conference. SciPy. SciPy, pp. 98–105. 1315s [2] Michaud‐Agrawal, N. et al., 2011. MDAnalysis: A toolkit for the analysis of molecular dynamics simulations. Journal of Computational Chemistry, 32(10), pp.2319–2327. 1315s [3] Minh, D.D.L., 2019. Alchemical Grid Dock (AlGDock): Binding Free Energy Calculations between Flexible Ligands and Rigid Receptors. Journal of Computational Chemistry, 41(7), pp.715–730. 1315s [4] Neumann, M., 1983. Dipole moment fluctuation formulas in computer simulations of polar systems. Molecular Physics, 50(4), pp.841–858. 1315s [5] Tiberti, M. et al., 2015. ENCORE: Software for Quantitative Ensemble Comparison B. L. de Groot, ed.. PLOS Computational Biology, 11(10), p.1004415. 1315s [6] Smart, O.S., Goodfellow, J.M. & Wallace, B.A., 1993. The pore dimensions of gramicidin A. Biophysical Journal, 65(6), pp.2455–2460. 1315s [7] Smart, O.S. et al., 1996. HOLE: A program for the analysis of the pore dimensions of ion channel structural models. Journal of Molecular Graphics, 14(6), pp.354–360. 1315s [8] Stelzl, L.S. et al., 2014. Flexible Gates Generate Occluded Intermediates in the Transport Cycle of LacY. Journal of Molecular Biology, 426(3), pp.735–751. 1315s [9] Smith, P. et al., 2019. On the interaction of hyaluronic acid with synovial fluid lipid membranes. Physical Chemistry Chemical Physics, 21(19), pp.9845–9857. 1315s [10] Gowers, R.J. & Carbone, P., 2015. A multiscale approach to model hydrogen bonding: The case of polyamide. The Journal of Chemical Physics, 142(22). 1315s [11] de Buyl, P., 2018. tidynamics: A tiny package to compute the dynamics of stochastic and molecular simulations. Journal of Open Source Software, 3(28), p.877. 1315s [12] Calandrini, V. et al., 2011. nMoldyn - Interfacing spectroscopic experiments, molecular dynamics simulations and models for time correlation functions. École thématique de la Société Française de la Neutronique, 12, pp.201–232. 1315s [13] Yang, L. et al., 2008. Close Correspondence between the Motions from Principal Component Analysis of Multiple HIV-1 Protease Structures and Elastic Network Modes. Structure, 16(2), pp.321–330. 1315s [14] Seyler, S.L. et al., 2015. Path Similarity Analysis: A Method for Quantifying Macromolecular Pathways E. Tajkhorshid, ed.. PLOS Computational Biology, 11(10), p.1004568. 1315s [15] Jakupovic, E. & Beckstein, O., 2021. MPI-parallel Molecular Dynamics Trajectory Analysis with the H5MD Format in the MDAnalysis Python Package. In Proceedings of the 20th Python in Science Conference. SciPy. SciPy, pp. 40–48. 1315s [16] de Buyl, P., Colberg, P.H. & Höfling, F., 2014. H5MD: A structured, efficient, and portable file format for molecular data. Computer Physics Communications, 185(6), pp.1546–1553. 1315s [17] Bradley, A.R. et al., 2017. MMTF—An efficient file format for the transmission, visualization, and analysis of macromolecular structures D. Schneidman, ed.. PLOS Computational Biology, 13(6), p.1005575. 1315s [18] Lundborg, M. et al., 2013. An efficient and extensible format, library, and API for binary trajectory data from molecular simulations. Journal of Computational Chemistry, 35(3), pp.260–269. 1315s [19] Theobald, D.L., 2005. Rapid calculation of RMSDs using a quaternion-based characteristic polynomial. Acta Crystallographica Section A Foundations of Crystallography, 61(4), pp.478–480. 1315s [20] Liu, P., Agrafiotis, D.K. & Theobald, D.L., Fast determination of the optimal rotational matrix for macromolecular superpositions. Journal of Computational Chemistry, 31(7), pp.1561–1563. 1315s [21] Kulke, M. & Vermaas, J.V., 2022. Reversible Unwrapping Algorithm for Constant-Pressure Molecular Dynamics Simulations. Journal of Chemical Theory and Computation, 18(10), pp.6161–6171. 1315s [22] Van Der Walt, S., Colbert, S.C. & Varoquaux, G., 2011. The NumPy array: a structure for efficient numerical computation. Computing in Science & Engineering, 13(2), pp.22–30. 1318s autopkgtest [20:39:52]: test test-mdanalysis: -----------------------] 1323s autopkgtest [20:39:57]: test test-mdanalysis: - - - - - - - - - - results - - - - - - - - - - 1323s test-mdanalysis PASS 1326s autopkgtest [20:40:00]: @@@@@@@@@@@@@@@@@@@@ summary 1326s test-mdanalysis PASS