0s autopkgtest [12:32:46]: starting date and time: 2024-06-08 12:32:46+0000 0s autopkgtest [12:32:46]: git checkout: 433ed4cb Merge branch 'skia/nova_flock' into 'ubuntu/5.34+prod' 0s autopkgtest [12:32:46]: host juju-7f2275-prod-proposed-migration-environment-2; command line: /home/ubuntu/autopkgtest/runner/autopkgtest --output-dir /tmp/autopkgtest-work.4_wriaq_/out --timeout-copy=6000 --setup-commands /home/ubuntu/autopkgtest-cloud/worker-config-production/setup-canonical.sh --apt-pocket=proposed=src:pytest,src:astropy --apt-upgrade python-ase --timeout-short=300 --timeout-copy=20000 --timeout-build=20000 '--env=ADT_TEST_TRIGGERS=pytest/8.2.2-1ubuntu1 astropy/6.0.1-4' -- ssh -s /home/ubuntu/autopkgtest/ssh-setup/nova -- --flavor autopkgtest --security-groups autopkgtest-juju-7f2275-prod-proposed-migration-environment-2@bos03-arm64-50.secgroup --name adt-oracular-arm64-python-ase-20240608-123246-juju-7f2275-prod-proposed-migration-environment-2-963e357a-2536-486f-ad63-821a7d75ba8f --image adt/ubuntu-oracular-arm64-server --keyname testbed-juju-7f2275-prod-proposed-migration-environment-2 --net-id=net_prod-proposed-migration -e TERM=linux -e ''"'"'http_proxy=http://squid.internal:3128'"'"'' -e ''"'"'https_proxy=http://squid.internal:3128'"'"'' -e ''"'"'no_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'"'"'' --mirror=http://ftpmaster.internal/ubuntu/ 952s autopkgtest [12:48:38]: testbed dpkg architecture: arm64 952s autopkgtest [12:48:38]: testbed apt version: 2.9.3 952s autopkgtest [12:48:38]: @@@@@@@@@@@@@@@@@@@@ test bed setup 953s Get:1 http://ftpmaster.internal/ubuntu oracular-proposed InRelease [110 kB] 953s Get:2 http://ftpmaster.internal/ubuntu oracular-proposed/universe Sources [339 kB] 953s Get:3 http://ftpmaster.internal/ubuntu oracular-proposed/multiverse Sources [2420 B] 953s Get:4 http://ftpmaster.internal/ubuntu oracular-proposed/restricted Sources [7972 B] 953s Get:5 http://ftpmaster.internal/ubuntu oracular-proposed/main Sources [44.2 kB] 953s Get:6 http://ftpmaster.internal/ubuntu oracular-proposed/main arm64 Packages [67.1 kB] 953s Get:7 http://ftpmaster.internal/ubuntu oracular-proposed/restricted arm64 Packages [31.8 kB] 953s Get:8 http://ftpmaster.internal/ubuntu oracular-proposed/universe arm64 Packages [301 kB] 953s Get:9 http://ftpmaster.internal/ubuntu oracular-proposed/multiverse arm64 Packages [9556 B] 954s Fetched 913 kB in 1s (881 kB/s) 954s Reading package lists... 957s Reading package lists... 958s Building dependency tree... 958s Reading state information... 958s Calculating upgrade... 959s The following packages will be upgraded: 959s bash 963s 1 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 963s Need to get 781 kB of archives. 963s After this operation, 0 B of additional disk space will be used. 963s Get:1 http://ftpmaster.internal/ubuntu oracular/main arm64 bash arm64 5.2.21-2.1ubuntu1 [781 kB] 966s Fetched 781 kB in 4s (189 kB/s) 966s (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 ... 78200 files and directories currently installed.) 966s Preparing to unpack .../bash_5.2.21-2.1ubuntu1_arm64.deb ... 966s Unpacking bash (5.2.21-2.1ubuntu1) over (5.2.21-2ubuntu5) ... 966s Setting up bash (5.2.21-2.1ubuntu1) ... 966s update-alternatives: using /usr/share/man/man7/bash-builtins.7.gz to provide /usr/share/man/man7/builtins.7.gz (builtins.7.gz) in auto mode 966s Processing triggers for debianutils (5.18) ... 967s Processing triggers for install-info (7.1-3build2) ... 967s Processing triggers for man-db (2.12.1-1) ... 968s Reading package lists... 969s Building dependency tree... 969s Reading state information... 969s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 972s Hit:1 http://ftpmaster.internal/ubuntu oracular InRelease 972s Hit:2 http://ftpmaster.internal/ubuntu oracular-updates InRelease 972s Hit:3 http://ftpmaster.internal/ubuntu oracular-security InRelease 972s Hit:4 http://ftpmaster.internal/ubuntu oracular-proposed InRelease 975s Reading package lists... 975s Reading package lists... 975s Building dependency tree... 975s Reading state information... 976s Calculating upgrade... 977s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 977s Reading package lists... 977s Building dependency tree... 977s Reading state information... 978s 0 upgraded, 0 newly installed, 0 to remove and 0 not upgraded. 984s autopkgtest [12:49:10]: testbed running kernel: Linux 6.8.0-31-generic #31-Ubuntu SMP PREEMPT_DYNAMIC Sat Apr 20 02:32:42 UTC 2024 985s autopkgtest [12:49:11]: @@@@@@@@@@@@@@@@@@@@ apt-source python-ase 992s Get:1 http://ftpmaster.internal/ubuntu oracular/universe python-ase 3.22.1-5 (dsc) [2586 B] 992s Get:2 http://ftpmaster.internal/ubuntu oracular/universe python-ase 3.22.1-5 (tar) [2837 kB] 992s Get:3 http://ftpmaster.internal/ubuntu oracular/universe python-ase 3.22.1-5 (diff) [15.6 kB] 993s gpgv: Signature made Sun May 19 11:06:50 2024 UTC 993s gpgv: using RSA key 25E3FF2D7F469DBE7D0D4E50AFCFEC8E669CE1C2 993s gpgv: Can't check signature: No public key 993s dpkg-source: warning: cannot verify inline signature for ./python-ase_3.22.1-5.dsc: no acceptable signature found 994s dpkg-source: warning: diff 'src/debian/patches/2629.patch' patches file src/ase/optimize/test/systems.py more than once 995s autopkgtest [12:49:21]: testing package python-ase version 3.22.1-5 996s autopkgtest [12:49:22]: build not needed 997s autopkgtest [12:49:23]: test command1: preparing testbed 999s Reading package lists... 1000s Building dependency tree... 1000s Reading state information... 1000s Starting pkgProblemResolver with broken count: 0 1000s Starting 2 pkgProblemResolver with broken count: 0 1000s Done 1001s The following additional packages will be installed: 1001s ase blt fonts-font-awesome fonts-glyphicons-halflings fonts-lyx libaec0 1001s libblas3 libgfortran5 libgomp1 libgraphite2-3 libharfbuzz0b libhdf5-103-1t64 1001s libhdf5-hl-100t64 libimagequant0 libjs-bootstrap libjs-jquery 1001s libjs-jquery-ui liblapack3 liblbfgsb0 liblcms2-2 libnetcdf19t64 libopenjp2-7 1001s libqhull-r8.0 libraqm0 libsymspg2 libsz2 libtcl8.6 libtk8.6 libwebpdemux2 1001s libwebpmux3 libxft2 libxrender1 libxslt1.1 libxss1 python-matplotlib-data 1001s python3-all python3-appdirs python3-ase python3-brotli python3-cftime 1001s python3-contourpy python3-cycler python3-dateutil python3-decorator 1001s python3-fonttools python3-fs python3-iniconfig python3-kiwisolver 1001s python3-lxml python3-lz4 python3-matplotlib python3-mpmath python3-netcdf4 1001s python3-numpy python3-packaging python3-pil python3-pil.imagetk 1001s python3-pluggy python3-pycodcif python3-pytest python3-pytest-mock 1001s python3-scipy python3-spglib python3-sympy python3-tk python3-ufolib2 1001s python3-unicodedata2 tk8.6-blt2.5 unicode-data x11-common 1001s Suggested packages: 1001s python-ase-doc blt-demo libjs-jquery-ui-docs liblcms2-utils tcl8.6 tk8.6 1001s python-cycler-doc python-lxml-doc cm-super-minimal dvipng ffmpeg 1001s fonts-staypuft ghostscript gir1.2-gtk-3.0 inkscape ipython3 librsvg2-common 1001s python3-cairocffi python3-gi-cairo python3-gobject python3-pyqt5 python3-sip 1001s python3-tornado texlive-extra-utils texlive-latex-extra python-mpmath-doc 1001s python3-gmpy2 gcc gfortran python-numpy-doc python3-dev python-pil-doc 1001s python-pytest-mock-doc python-scipy-doc texlive-fonts-extra python-sympy-doc 1001s tix python3-tk-dbg 1001s Recommended packages: 1001s javascript-common python3-bs4 python3-cssselect python3-html5lib 1001s python3-olefile g++ | c++-compiler isympy-common 1001s The following NEW packages will be installed: 1001s ase autopkgtest-satdep blt fonts-font-awesome fonts-glyphicons-halflings 1001s fonts-lyx libaec0 libblas3 libgfortran5 libgomp1 libgraphite2-3 1001s libharfbuzz0b libhdf5-103-1t64 libhdf5-hl-100t64 libimagequant0 1001s libjs-bootstrap libjs-jquery libjs-jquery-ui liblapack3 liblbfgsb0 1001s liblcms2-2 libnetcdf19t64 libopenjp2-7 libqhull-r8.0 libraqm0 libsymspg2 1001s libsz2 libtcl8.6 libtk8.6 libwebpdemux2 libwebpmux3 libxft2 libxrender1 1001s libxslt1.1 libxss1 python-matplotlib-data python3-all python3-appdirs 1001s python3-ase python3-brotli python3-cftime python3-contourpy python3-cycler 1001s python3-dateutil python3-decorator python3-fonttools python3-fs 1001s python3-iniconfig python3-kiwisolver python3-lxml python3-lz4 1001s python3-matplotlib python3-mpmath python3-netcdf4 python3-numpy 1001s python3-packaging python3-pil python3-pil.imagetk python3-pluggy 1001s python3-pycodcif python3-pytest python3-pytest-mock python3-scipy 1001s python3-spglib python3-sympy python3-tk python3-ufolib2 python3-unicodedata2 1001s tk8.6-blt2.5 unicode-data x11-common 1001s 0 upgraded, 71 newly installed, 0 to remove and 0 not upgraded. 1001s Need to get 57.8 MB/57.8 MB of archives. 1001s After this operation, 248 MB of additional disk space will be used. 1001s Get:1 /tmp/autopkgtest.D1fON2/1-autopkgtest-satdep.deb autopkgtest-satdep arm64 0 [744 B] 1001s Get:2 http://ftpmaster.internal/ubuntu oracular/main arm64 fonts-font-awesome all 5.0.10+really4.7.0~dfsg-4.1 [516 kB] 1001s Get:3 http://ftpmaster.internal/ubuntu oracular/universe arm64 fonts-glyphicons-halflings all 1.009~3.4.1+dfsg-3 [118 kB] 1001s Get:4 http://ftpmaster.internal/ubuntu oracular/universe arm64 libjs-bootstrap all 3.4.1+dfsg-3 [129 kB] 1001s Get:5 http://ftpmaster.internal/ubuntu oracular/main arm64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [328 kB] 1002s Get:6 http://ftpmaster.internal/ubuntu oracular/universe arm64 libjs-jquery-ui all 1.13.2+dfsg-1 [252 kB] 1002s Get:7 http://ftpmaster.internal/ubuntu oracular/main arm64 libblas3 arm64 3.12.0-3build1 [143 kB] 1002s Get:8 http://ftpmaster.internal/ubuntu oracular/main arm64 libgfortran5 arm64 14.1.0-1ubuntu1 [443 kB] 1002s Get:9 http://ftpmaster.internal/ubuntu oracular/main arm64 liblapack3 arm64 3.12.0-3build1 [2241 kB] 1002s Get:10 http://ftpmaster.internal/ubuntu oracular/main arm64 python3-numpy arm64 1:1.26.4+ds-10 [3565 kB] 1002s Get:11 http://ftpmaster.internal/ubuntu oracular/main arm64 python3-decorator all 5.1.1-5 [10.1 kB] 1002s Get:12 http://ftpmaster.internal/ubuntu oracular/universe arm64 liblbfgsb0 arm64 3.0+dfsg.4-1build1 [27.7 kB] 1002s Get:13 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-scipy arm64 1.11.4-10 [15.0 MB] 1002s Get:14 http://ftpmaster.internal/ubuntu oracular/universe arm64 libsymspg2 arm64 2.3.1-1ubuntu2 [207 kB] 1002s Get:15 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-spglib arm64 2.3.1-1ubuntu2 [28.6 kB] 1002s Get:16 http://ftpmaster.internal/ubuntu oracular/universe arm64 fonts-lyx all 2.4.0-1 [171 kB] 1002s Get:17 http://ftpmaster.internal/ubuntu oracular/universe arm64 python-matplotlib-data all 3.6.3-2ubuntu1 [2937 kB] 1002s Get:18 http://ftpmaster.internal/ubuntu oracular/main arm64 python3-dateutil all 2.9.0-2 [80.3 kB] 1002s Get:19 http://ftpmaster.internal/ubuntu oracular/main arm64 libgomp1 arm64 14.1.0-1ubuntu1 [144 kB] 1002s Get:20 http://ftpmaster.internal/ubuntu oracular/main arm64 libimagequant0 arm64 2.18.0-1build1 [37.1 kB] 1002s Get:21 http://ftpmaster.internal/ubuntu oracular/main arm64 liblcms2-2 arm64 2.14-2build1 [161 kB] 1002s Get:22 http://ftpmaster.internal/ubuntu oracular/main arm64 libopenjp2-7 arm64 2.5.0-2build3 [171 kB] 1002s Get:23 http://ftpmaster.internal/ubuntu oracular/main arm64 libgraphite2-3 arm64 1.3.14-2build1 [70.8 kB] 1002s Get:24 http://ftpmaster.internal/ubuntu oracular/main arm64 libharfbuzz0b arm64 8.3.0-2build2 [463 kB] 1002s Get:25 http://ftpmaster.internal/ubuntu oracular/main arm64 libraqm0 arm64 0.10.1-1build1 [14.7 kB] 1002s Get:26 http://ftpmaster.internal/ubuntu oracular/main arm64 libwebpdemux2 arm64 1.4.0-0.1 [12.3 kB] 1003s Get:27 http://ftpmaster.internal/ubuntu oracular/main arm64 libwebpmux3 arm64 1.4.0-0.1 [25.1 kB] 1003s Get:28 http://ftpmaster.internal/ubuntu oracular/main arm64 python3-pil arm64 10.3.0-2 [446 kB] 1003s Get:29 http://ftpmaster.internal/ubuntu oracular/main arm64 libtcl8.6 arm64 8.6.14+dfsg-1build1 [978 kB] 1003s Get:30 http://ftpmaster.internal/ubuntu oracular/main arm64 libxrender1 arm64 1:0.9.10-1.1build1 [18.8 kB] 1003s Get:31 http://ftpmaster.internal/ubuntu oracular/main arm64 libxft2 arm64 2.3.6-1build1 [44.1 kB] 1003s Get:32 http://ftpmaster.internal/ubuntu oracular/main arm64 x11-common all 1:7.7+23ubuntu3 [21.7 kB] 1003s Get:33 http://ftpmaster.internal/ubuntu oracular/main arm64 libxss1 arm64 1:1.2.3-1build3 [7244 B] 1003s Get:34 http://ftpmaster.internal/ubuntu oracular/main arm64 libtk8.6 arm64 8.6.14-1build1 [767 kB] 1003s Get:35 http://ftpmaster.internal/ubuntu oracular/main arm64 tk8.6-blt2.5 arm64 2.5.3+dfsg-7build1 [618 kB] 1003s Get:36 http://ftpmaster.internal/ubuntu oracular/main arm64 blt arm64 2.5.3+dfsg-7build1 [4840 B] 1003s Get:37 http://ftpmaster.internal/ubuntu oracular/main arm64 python3-tk arm64 3.12.3-0ubuntu1 [102 kB] 1003s Get:38 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-pil.imagetk arm64 10.3.0-2 [9268 B] 1003s Get:39 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-contourpy arm64 1.0.7-3 [163 kB] 1003s Get:40 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-cycler all 0.12.1-1 [9716 B] 1003s Get:41 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-brotli arm64 1.1.0-2build2 [340 kB] 1003s Get:42 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-ufolib2 all 0.16.0+dfsg1-1 [33.5 kB] 1003s Get:43 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-mpmath all 1.3.0-1 [425 kB] 1003s Get:44 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-sympy all 1.12-8 [3966 kB] 1003s Get:45 http://ftpmaster.internal/ubuntu oracular/main arm64 python3-appdirs all 1.4.4-4 [10.9 kB] 1003s Get:46 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-fs all 2.4.16-4 [91.3 kB] 1003s Get:47 http://ftpmaster.internal/ubuntu oracular/main arm64 libxslt1.1 arm64 1.1.39-0exp1build1 [166 kB] 1003s Get:48 http://ftpmaster.internal/ubuntu oracular/main arm64 python3-lxml arm64 5.2.1-1 [1179 kB] 1003s Get:49 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-lz4 arm64 4.0.2+dfsg-1build4 [26.7 kB] 1003s Get:50 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-unicodedata2 arm64 15.1.0+ds-1build1 [362 kB] 1003s Get:51 http://ftpmaster.internal/ubuntu oracular/main arm64 python3-all arm64 3.12.3-0ubuntu1 [888 B] 1003s Get:52 http://ftpmaster.internal/ubuntu oracular/universe arm64 unicode-data all 15.1.0-1 [8878 kB] 1003s Get:53 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-fonttools arm64 4.46.0-1build2 [1398 kB] 1003s Get:54 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-kiwisolver arm64 1.4.5-1 [48.9 kB] 1003s Get:55 http://ftpmaster.internal/ubuntu oracular/main arm64 python3-packaging all 24.0-1 [41.1 kB] 1003s Get:56 http://ftpmaster.internal/ubuntu oracular/universe arm64 libqhull-r8.0 arm64 2020.2-6build1 [189 kB] 1003s Get:57 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-matplotlib arm64 3.6.3-2ubuntu1 [5963 kB] 1003s Get:58 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-ase all 3.22.1-5 [1405 kB] 1003s Get:59 http://ftpmaster.internal/ubuntu oracular/universe arm64 ase all 3.22.1-5 [31.3 kB] 1003s Get:60 http://ftpmaster.internal/ubuntu oracular/universe arm64 libaec0 arm64 1.1.3-1 [22.0 kB] 1003s Get:61 http://ftpmaster.internal/ubuntu oracular/universe arm64 libsz2 arm64 1.1.3-1 [5254 B] 1003s Get:62 http://ftpmaster.internal/ubuntu oracular/universe arm64 libhdf5-103-1t64 arm64 1.10.10+repack-3.1ubuntu4 [1192 kB] 1003s Get:63 http://ftpmaster.internal/ubuntu oracular/universe arm64 libhdf5-hl-100t64 arm64 1.10.10+repack-3.1ubuntu4 [55.8 kB] 1003s Get:64 http://ftpmaster.internal/ubuntu oracular/universe arm64 libnetcdf19t64 arm64 1:4.9.2-6 [470 kB] 1003s Get:65 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-cftime arm64 1.6.4-1 [195 kB] 1003s Get:66 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-iniconfig all 1.1.1-2 [6024 B] 1003s Get:67 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-netcdf4 arm64 1.6.5-1build3 [519 kB] 1003s Get:68 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-pluggy all 1.5.0-1 [21.0 kB] 1003s Get:69 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-pycodcif arm64 3.10.0+dfsg-1 [63.8 kB] 1003s Get:70 http://ftpmaster.internal/ubuntu oracular-proposed/universe arm64 python3-pytest all 8.2.2-1ubuntu1 [250 kB] 1003s Get:71 http://ftpmaster.internal/ubuntu oracular/universe arm64 python3-pytest-mock all 3.12.0-1.1 [11.3 kB] 1005s Fetched 57.8 MB in 3s (23.1 MB/s) 1006s Selecting previously unselected package fonts-font-awesome. 1006s (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 ... 78200 files and directories currently installed.) 1006s Preparing to unpack .../00-fonts-font-awesome_5.0.10+really4.7.0~dfsg-4.1_all.deb ... 1006s Unpacking fonts-font-awesome (5.0.10+really4.7.0~dfsg-4.1) ... 1006s Selecting previously unselected package fonts-glyphicons-halflings. 1006s Preparing to unpack .../01-fonts-glyphicons-halflings_1.009~3.4.1+dfsg-3_all.deb ... 1006s Unpacking fonts-glyphicons-halflings (1.009~3.4.1+dfsg-3) ... 1006s Selecting previously unselected package libjs-bootstrap. 1006s Preparing to unpack .../02-libjs-bootstrap_3.4.1+dfsg-3_all.deb ... 1006s Unpacking libjs-bootstrap (3.4.1+dfsg-3) ... 1006s Selecting previously unselected package libjs-jquery. 1007s Preparing to unpack .../03-libjs-jquery_3.6.1+dfsg+~3.5.14-1_all.deb ... 1007s Unpacking libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... 1007s Selecting previously unselected package libjs-jquery-ui. 1007s Preparing to unpack .../04-libjs-jquery-ui_1.13.2+dfsg-1_all.deb ... 1007s Unpacking libjs-jquery-ui (1.13.2+dfsg-1) ... 1007s Selecting previously unselected package libblas3:arm64. 1007s Preparing to unpack .../05-libblas3_3.12.0-3build1_arm64.deb ... 1007s Unpacking libblas3:arm64 (3.12.0-3build1) ... 1008s Selecting previously unselected package libgfortran5:arm64. 1008s Preparing to unpack .../06-libgfortran5_14.1.0-1ubuntu1_arm64.deb ... 1008s Unpacking libgfortran5:arm64 (14.1.0-1ubuntu1) ... 1008s Selecting previously unselected package liblapack3:arm64. 1008s Preparing to unpack .../07-liblapack3_3.12.0-3build1_arm64.deb ... 1008s Unpacking liblapack3:arm64 (3.12.0-3build1) ... 1008s Selecting previously unselected package python3-numpy. 1009s Preparing to unpack .../08-python3-numpy_1%3a1.26.4+ds-10_arm64.deb ... 1009s Unpacking python3-numpy (1:1.26.4+ds-10) ... 1009s Selecting previously unselected package python3-decorator. 1009s Preparing to unpack .../09-python3-decorator_5.1.1-5_all.deb ... 1009s Unpacking python3-decorator (5.1.1-5) ... 1009s Selecting previously unselected package liblbfgsb0:arm64. 1009s Preparing to unpack .../10-liblbfgsb0_3.0+dfsg.4-1build1_arm64.deb ... 1009s Unpacking liblbfgsb0:arm64 (3.0+dfsg.4-1build1) ... 1009s Selecting previously unselected package python3-scipy. 1009s Preparing to unpack .../11-python3-scipy_1.11.4-10_arm64.deb ... 1009s Unpacking python3-scipy (1.11.4-10) ... 1010s Selecting previously unselected package libsymspg2:arm64. 1012s Preparing to unpack .../12-libsymspg2_2.3.1-1ubuntu2_arm64.deb ... 1012s Unpacking libsymspg2:arm64 (2.3.1-1ubuntu2) ... 1012s Selecting previously unselected package python3-spglib. 1012s Preparing to unpack .../13-python3-spglib_2.3.1-1ubuntu2_arm64.deb ... 1012s Unpacking python3-spglib (2.3.1-1ubuntu2) ... 1013s Selecting previously unselected package fonts-lyx. 1013s Preparing to unpack .../14-fonts-lyx_2.4.0-1_all.deb ... 1013s Unpacking fonts-lyx (2.4.0-1) ... 1013s Selecting previously unselected package python-matplotlib-data. 1013s Preparing to unpack .../15-python-matplotlib-data_3.6.3-2ubuntu1_all.deb ... 1013s Unpacking python-matplotlib-data (3.6.3-2ubuntu1) ... 1013s Selecting previously unselected package python3-dateutil. 1013s Preparing to unpack .../16-python3-dateutil_2.9.0-2_all.deb ... 1013s Unpacking python3-dateutil (2.9.0-2) ... 1013s Selecting previously unselected package libgomp1:arm64. 1013s Preparing to unpack .../17-libgomp1_14.1.0-1ubuntu1_arm64.deb ... 1013s Unpacking libgomp1:arm64 (14.1.0-1ubuntu1) ... 1013s Selecting previously unselected package libimagequant0:arm64. 1013s Preparing to unpack .../18-libimagequant0_2.18.0-1build1_arm64.deb ... 1013s Unpacking libimagequant0:arm64 (2.18.0-1build1) ... 1013s Selecting previously unselected package liblcms2-2:arm64. 1014s Preparing to unpack .../19-liblcms2-2_2.14-2build1_arm64.deb ... 1014s Unpacking liblcms2-2:arm64 (2.14-2build1) ... 1014s Selecting previously unselected package libopenjp2-7:arm64. 1014s Preparing to unpack .../20-libopenjp2-7_2.5.0-2build3_arm64.deb ... 1014s Unpacking libopenjp2-7:arm64 (2.5.0-2build3) ... 1014s Selecting previously unselected package libgraphite2-3:arm64. 1014s Preparing to unpack .../21-libgraphite2-3_1.3.14-2build1_arm64.deb ... 1014s Unpacking libgraphite2-3:arm64 (1.3.14-2build1) ... 1014s Selecting previously unselected package libharfbuzz0b:arm64. 1014s Preparing to unpack .../22-libharfbuzz0b_8.3.0-2build2_arm64.deb ... 1014s Unpacking libharfbuzz0b:arm64 (8.3.0-2build2) ... 1014s Selecting previously unselected package libraqm0:arm64. 1014s Preparing to unpack .../23-libraqm0_0.10.1-1build1_arm64.deb ... 1014s Unpacking libraqm0:arm64 (0.10.1-1build1) ... 1014s Selecting previously unselected package libwebpdemux2:arm64. 1014s Preparing to unpack .../24-libwebpdemux2_1.4.0-0.1_arm64.deb ... 1014s Unpacking libwebpdemux2:arm64 (1.4.0-0.1) ... 1014s Selecting previously unselected package libwebpmux3:arm64. 1014s Preparing to unpack .../25-libwebpmux3_1.4.0-0.1_arm64.deb ... 1014s Unpacking libwebpmux3:arm64 (1.4.0-0.1) ... 1015s Selecting previously unselected package python3-pil:arm64. 1015s Preparing to unpack .../26-python3-pil_10.3.0-2_arm64.deb ... 1015s Unpacking python3-pil:arm64 (10.3.0-2) ... 1015s Selecting previously unselected package libtcl8.6:arm64. 1015s Preparing to unpack .../27-libtcl8.6_8.6.14+dfsg-1build1_arm64.deb ... 1015s Unpacking libtcl8.6:arm64 (8.6.14+dfsg-1build1) ... 1015s Selecting previously unselected package libxrender1:arm64. 1015s Preparing to unpack .../28-libxrender1_1%3a0.9.10-1.1build1_arm64.deb ... 1015s Unpacking libxrender1:arm64 (1:0.9.10-1.1build1) ... 1015s Selecting previously unselected package libxft2:arm64. 1016s Preparing to unpack .../29-libxft2_2.3.6-1build1_arm64.deb ... 1016s Unpacking libxft2:arm64 (2.3.6-1build1) ... 1016s Selecting previously unselected package x11-common. 1016s Preparing to unpack .../30-x11-common_1%3a7.7+23ubuntu3_all.deb ... 1016s Unpacking x11-common (1:7.7+23ubuntu3) ... 1016s Selecting previously unselected package libxss1:arm64. 1016s Preparing to unpack .../31-libxss1_1%3a1.2.3-1build3_arm64.deb ... 1016s Unpacking libxss1:arm64 (1:1.2.3-1build3) ... 1016s Selecting previously unselected package libtk8.6:arm64. 1017s Preparing to unpack .../32-libtk8.6_8.6.14-1build1_arm64.deb ... 1017s Unpacking libtk8.6:arm64 (8.6.14-1build1) ... 1017s Selecting previously unselected package tk8.6-blt2.5. 1017s Preparing to unpack .../33-tk8.6-blt2.5_2.5.3+dfsg-7build1_arm64.deb ... 1017s Unpacking tk8.6-blt2.5 (2.5.3+dfsg-7build1) ... 1017s Selecting previously unselected package blt. 1017s Preparing to unpack .../34-blt_2.5.3+dfsg-7build1_arm64.deb ... 1017s Unpacking blt (2.5.3+dfsg-7build1) ... 1017s Selecting previously unselected package python3-tk:arm64. 1017s Preparing to unpack .../35-python3-tk_3.12.3-0ubuntu1_arm64.deb ... 1017s Unpacking python3-tk:arm64 (3.12.3-0ubuntu1) ... 1018s Selecting previously unselected package python3-pil.imagetk:arm64. 1018s Preparing to unpack .../36-python3-pil.imagetk_10.3.0-2_arm64.deb ... 1018s Unpacking python3-pil.imagetk:arm64 (10.3.0-2) ... 1018s Selecting previously unselected package python3-contourpy. 1018s Preparing to unpack .../37-python3-contourpy_1.0.7-3_arm64.deb ... 1018s Unpacking python3-contourpy (1.0.7-3) ... 1018s Selecting previously unselected package python3-cycler. 1019s Preparing to unpack .../38-python3-cycler_0.12.1-1_all.deb ... 1019s Unpacking python3-cycler (0.12.1-1) ... 1019s Selecting previously unselected package python3-brotli. 1019s Preparing to unpack .../39-python3-brotli_1.1.0-2build2_arm64.deb ... 1019s Unpacking python3-brotli (1.1.0-2build2) ... 1019s Selecting previously unselected package python3-ufolib2. 1019s Preparing to unpack .../40-python3-ufolib2_0.16.0+dfsg1-1_all.deb ... 1019s Unpacking python3-ufolib2 (0.16.0+dfsg1-1) ... 1020s Selecting previously unselected package python3-mpmath. 1020s Preparing to unpack .../41-python3-mpmath_1.3.0-1_all.deb ... 1020s Unpacking python3-mpmath (1.3.0-1) ... 1020s Selecting previously unselected package python3-sympy. 1020s Preparing to unpack .../42-python3-sympy_1.12-8_all.deb ... 1020s Unpacking python3-sympy (1.12-8) ... 1020s Selecting previously unselected package python3-appdirs. 1020s Preparing to unpack .../43-python3-appdirs_1.4.4-4_all.deb ... 1020s Unpacking python3-appdirs (1.4.4-4) ... 1020s Selecting previously unselected package python3-fs. 1020s Preparing to unpack .../44-python3-fs_2.4.16-4_all.deb ... 1020s Unpacking python3-fs (2.4.16-4) ... 1021s Selecting previously unselected package libxslt1.1:arm64. 1021s Preparing to unpack .../45-libxslt1.1_1.1.39-0exp1build1_arm64.deb ... 1021s Unpacking libxslt1.1:arm64 (1.1.39-0exp1build1) ... 1021s Selecting previously unselected package python3-lxml:arm64. 1021s Preparing to unpack .../46-python3-lxml_5.2.1-1_arm64.deb ... 1021s Unpacking python3-lxml:arm64 (5.2.1-1) ... 1022s Selecting previously unselected package python3-lz4. 1022s Preparing to unpack .../47-python3-lz4_4.0.2+dfsg-1build4_arm64.deb ... 1022s Unpacking python3-lz4 (4.0.2+dfsg-1build4) ... 1022s Selecting previously unselected package python3-unicodedata2. 1022s Preparing to unpack .../48-python3-unicodedata2_15.1.0+ds-1build1_arm64.deb ... 1022s Unpacking python3-unicodedata2 (15.1.0+ds-1build1) ... 1023s Selecting previously unselected package python3-all. 1023s Preparing to unpack .../49-python3-all_3.12.3-0ubuntu1_arm64.deb ... 1023s Unpacking python3-all (3.12.3-0ubuntu1) ... 1023s Selecting previously unselected package unicode-data. 1024s Preparing to unpack .../50-unicode-data_15.1.0-1_all.deb ... 1024s Unpacking unicode-data (15.1.0-1) ... 1024s Selecting previously unselected package python3-fonttools. 1024s Preparing to unpack .../51-python3-fonttools_4.46.0-1build2_arm64.deb ... 1024s Unpacking python3-fonttools (4.46.0-1build2) ... 1025s Selecting previously unselected package python3-kiwisolver. 1025s Preparing to unpack .../52-python3-kiwisolver_1.4.5-1_arm64.deb ... 1025s Unpacking python3-kiwisolver (1.4.5-1) ... 1025s Selecting previously unselected package python3-packaging. 1025s Preparing to unpack .../53-python3-packaging_24.0-1_all.deb ... 1025s Unpacking python3-packaging (24.0-1) ... 1025s Selecting previously unselected package libqhull-r8.0:arm64. 1025s Preparing to unpack .../54-libqhull-r8.0_2020.2-6build1_arm64.deb ... 1025s Unpacking libqhull-r8.0:arm64 (2020.2-6build1) ... 1025s Selecting previously unselected package python3-matplotlib. 1026s Preparing to unpack .../55-python3-matplotlib_3.6.3-2ubuntu1_arm64.deb ... 1026s Unpacking python3-matplotlib (3.6.3-2ubuntu1) ... 1026s Selecting previously unselected package python3-ase. 1026s Preparing to unpack .../56-python3-ase_3.22.1-5_all.deb ... 1026s Unpacking python3-ase (3.22.1-5) ... 1027s Selecting previously unselected package ase. 1027s Preparing to unpack .../57-ase_3.22.1-5_all.deb ... 1027s Unpacking ase (3.22.1-5) ... 1027s Selecting previously unselected package libaec0:arm64. 1027s Preparing to unpack .../58-libaec0_1.1.3-1_arm64.deb ... 1027s Unpacking libaec0:arm64 (1.1.3-1) ... 1027s Selecting previously unselected package libsz2:arm64. 1027s Preparing to unpack .../59-libsz2_1.1.3-1_arm64.deb ... 1027s Unpacking libsz2:arm64 (1.1.3-1) ... 1027s Selecting previously unselected package libhdf5-103-1t64:arm64. 1027s Preparing to unpack .../60-libhdf5-103-1t64_1.10.10+repack-3.1ubuntu4_arm64.deb ... 1027s Unpacking libhdf5-103-1t64:arm64 (1.10.10+repack-3.1ubuntu4) ... 1027s Selecting previously unselected package libhdf5-hl-100t64:arm64. 1027s Preparing to unpack .../61-libhdf5-hl-100t64_1.10.10+repack-3.1ubuntu4_arm64.deb ... 1027s Unpacking libhdf5-hl-100t64:arm64 (1.10.10+repack-3.1ubuntu4) ... 1027s Selecting previously unselected package libnetcdf19t64:arm64. 1027s Preparing to unpack .../62-libnetcdf19t64_1%3a4.9.2-6_arm64.deb ... 1027s Unpacking libnetcdf19t64:arm64 (1:4.9.2-6) ... 1027s Selecting previously unselected package python3-cftime. 1028s Preparing to unpack .../63-python3-cftime_1.6.4-1_arm64.deb ... 1028s Unpacking python3-cftime (1.6.4-1) ... 1028s Selecting previously unselected package python3-iniconfig. 1028s Preparing to unpack .../64-python3-iniconfig_1.1.1-2_all.deb ... 1028s Unpacking python3-iniconfig (1.1.1-2) ... 1028s Selecting previously unselected package python3-netcdf4. 1028s Preparing to unpack .../65-python3-netcdf4_1.6.5-1build3_arm64.deb ... 1028s Unpacking python3-netcdf4 (1.6.5-1build3) ... 1028s Selecting previously unselected package python3-pluggy. 1029s Preparing to unpack .../66-python3-pluggy_1.5.0-1_all.deb ... 1029s Unpacking python3-pluggy (1.5.0-1) ... 1029s Selecting previously unselected package python3-pycodcif. 1029s Preparing to unpack .../67-python3-pycodcif_3.10.0+dfsg-1_arm64.deb ... 1029s Unpacking python3-pycodcif (3.10.0+dfsg-1) ... 1029s Selecting previously unselected package python3-pytest. 1030s Preparing to unpack .../68-python3-pytest_8.2.2-1ubuntu1_all.deb ... 1030s Unpacking python3-pytest (8.2.2-1ubuntu1) ... 1030s Selecting previously unselected package python3-pytest-mock. 1030s Preparing to unpack .../69-python3-pytest-mock_3.12.0-1.1_all.deb ... 1030s Unpacking python3-pytest-mock (3.12.0-1.1) ... 1031s Selecting previously unselected package autopkgtest-satdep. 1031s Preparing to unpack .../70-1-autopkgtest-satdep.deb ... 1031s Unpacking autopkgtest-satdep (0) ... 1032s Setting up libgraphite2-3:arm64 (1.3.14-2build1) ... 1032s Setting up liblcms2-2:arm64 (2.14-2build1) ... 1032s Setting up python3-iniconfig (1.1.1-2) ... 1032s Setting up libxrender1:arm64 (1:0.9.10-1.1build1) ... 1032s Setting up python3-lz4 (4.0.2+dfsg-1build4) ... 1032s Setting up fonts-glyphicons-halflings (1.009~3.4.1+dfsg-3) ... 1032s Setting up python3-unicodedata2 (15.1.0+ds-1build1) ... 1032s Setting up fonts-lyx (2.4.0-1) ... 1032s Setting up libwebpdemux2:arm64 (1.4.0-0.1) ... 1032s Setting up x11-common (1:7.7+23ubuntu3) ... 1034s Setting up libqhull-r8.0:arm64 (2020.2-6build1) ... 1034s Setting up python3-all (3.12.3-0ubuntu1) ... 1034s Setting up python3-pycodcif (3.10.0+dfsg-1) ... 1034s Setting up libgomp1:arm64 (14.1.0-1ubuntu1) ... 1034s Setting up libaec0:arm64 (1.1.3-1) ... 1034s Setting up unicode-data (15.1.0-1) ... 1034s Setting up libsymspg2:arm64 (2.3.1-1ubuntu2) ... 1034s Setting up python3-decorator (5.1.1-5) ... 1034s Setting up libblas3:arm64 (3.12.0-3build1) ... 1034s update-alternatives: using /usr/lib/aarch64-linux-gnu/blas/libblas.so.3 to provide /usr/lib/aarch64-linux-gnu/libblas.so.3 (libblas.so.3-aarch64-linux-gnu) in auto mode 1034s Setting up python3-packaging (24.0-1) ... 1035s Setting up python3-brotli (1.1.0-2build2) ... 1035s Setting up python3-cycler (0.12.1-1) ... 1035s Setting up libimagequant0:arm64 (2.18.0-1build1) ... 1035s Setting up python3-kiwisolver (1.4.5-1) ... 1036s Setting up libtcl8.6:arm64 (8.6.14+dfsg-1build1) ... 1036s Setting up libgfortran5:arm64 (14.1.0-1ubuntu1) ... 1036s Setting up python3-pluggy (1.5.0-1) ... 1036s Setting up libxslt1.1:arm64 (1.1.39-0exp1build1) ... 1036s Setting up libopenjp2-7:arm64 (2.5.0-2build3) ... 1036s Setting up libharfbuzz0b:arm64 (8.3.0-2build2) ... 1036s Setting up python3-dateutil (2.9.0-2) ... 1037s Setting up libxss1:arm64 (1:1.2.3-1build3) ... 1037s Setting up libjs-jquery (3.6.1+dfsg+~3.5.14-1) ... 1037s Setting up python3-mpmath (1.3.0-1) ... 1038s Setting up python-matplotlib-data (3.6.3-2ubuntu1) ... 1038s Setting up libwebpmux3:arm64 (1.4.0-0.1) ... 1038s Setting up python3-appdirs (1.4.4-4) ... 1038s Setting up fonts-font-awesome (5.0.10+really4.7.0~dfsg-4.1) ... 1038s Setting up libsz2:arm64 (1.1.3-1) ... 1038s Setting up libjs-bootstrap (3.4.1+dfsg-3) ... 1038s Setting up python3-sympy (1.12-8) ... 1045s Setting up liblapack3:arm64 (3.12.0-3build1) ... 1045s update-alternatives: using /usr/lib/aarch64-linux-gnu/lapack/liblapack.so.3 to provide /usr/lib/aarch64-linux-gnu/liblapack.so.3 (liblapack.so.3-aarch64-linux-gnu) in auto mode 1045s Setting up libxft2:arm64 (2.3.6-1build1) ... 1045s Setting up python3-pytest (8.2.2-1ubuntu1) ... 1046s Setting up libtk8.6:arm64 (8.6.14-1build1) ... 1046s Setting up python3-fs (2.4.16-4) ... 1046s Setting up libjs-jquery-ui (1.13.2+dfsg-1) ... 1046s Setting up libraqm0:arm64 (0.10.1-1build1) ... 1046s Setting up python3-numpy (1:1.26.4+ds-10) ... 1050s Setting up python3-pytest-mock (3.12.0-1.1) ... 1050s Setting up python3-lxml:arm64 (5.2.1-1) ... 1050s Setting up python3-contourpy (1.0.7-3) ... 1050s Setting up libhdf5-103-1t64:arm64 (1.10.10+repack-3.1ubuntu4) ... 1050s Setting up python3-spglib (2.3.1-1ubuntu2) ... 1050s Setting up liblbfgsb0:arm64 (3.0+dfsg.4-1build1) ... 1050s Setting up libhdf5-hl-100t64:arm64 (1.10.10+repack-3.1ubuntu4) ... 1050s Setting up tk8.6-blt2.5 (2.5.3+dfsg-7build1) ... 1050s Setting up libnetcdf19t64:arm64 (1:4.9.2-6) ... 1050s Setting up python3-scipy (1.11.4-10) ... 1054s Setting up blt (2.5.3+dfsg-7build1) ... 1054s Setting up python3-tk:arm64 (3.12.3-0ubuntu1) ... 1054s Setting up python3-pil:arm64 (10.3.0-2) ... 1054s Setting up python3-pil.imagetk:arm64 (10.3.0-2) ... 1055s Setting up python3-cftime (1.6.4-1) ... 1055s Setting up python3-netcdf4 (1.6.5-1build3) ... 1056s Setting up python3-fonttools (4.46.0-1build2) ... 1057s Setting up python3-ufolib2 (0.16.0+dfsg1-1) ... 1057s Setting up python3-matplotlib (3.6.3-2ubuntu1) ... 1059s Setting up python3-ase (3.22.1-5) ... 1061s Setting up ase (3.22.1-5) ... 1061s Setting up autopkgtest-satdep (0) ... 1061s Processing triggers for libc-bin (2.39-0ubuntu8.1) ... 1061s Processing triggers for man-db (2.12.1-1) ... 1069s (Reading database ... 86325 files and directories currently installed.) 1069s Removing autopkgtest-satdep (0) ... 1070s autopkgtest [12:50:36]: test command1: for py in $(py3versions -d); do cd "$AUTOPKGTEST_TMP"; $py -m ase test; done 1070s autopkgtest [12:50:36]: test command1: [----------------------- 1074s About to run pytest with these parameters: 1074s -v 1075s ============================= test session starts ============================== 1075s platform linux -- Python 3.12.3, pytest-8.2.2, pluggy-1.5.0 -- /usr/bin/python3.12 1075s 1075s Libraries 1075s ========= 1075s 1075s ase-3.22.1 /usr/lib/python3/dist-packages/ase 1075s numpy-1.26.4 /usr/lib/python3/dist-packages/numpy 1075s scipy-1.11.4 /usr/lib/python3/dist-packages/scipy 1075s matplotlib-3.6.3 /usr/lib/python3/dist-packages/matplotlib 1075s spglib-2.3.1 /usr/lib/python3/dist-packages/spglib 1075s ase_ext not installed 1075s flask not installed 1075s psycopg2 not installed 1075s pyamg not installed 1075s 1075s 1075s Calculators 1075s =========== 1075s Config: No configuration file specified 1075s Datafiles: ase-datafiles package not installed 1075s 1075s [ ] abinit not installed 1075s [ ] aims not installed 1075s [ ] asap not installed 1075s [ ] castep not installed 1075s [ ] cp2k not installed 1075s [ ] dftb not installed 1075s [ ] dftd3 not installed 1075s [ ] elk not installed 1075s [ ] espresso not installed 1075s [ ] exciting not installed 1075s [ ] gpaw not installed 1075s [ ] gromacs not installed 1075s [ ] lammpslib not installed 1075s [ ] lammpsrun not installed 1075s [ ] nwchem not installed 1075s [ ] octopus not installed 1075s [ ] openmx not installed 1075s [ ] siesta not installed 1075s [ ] vasp not installed 1075s 1075s * Use --calculators option to select calculators. 1075s 1075s * See "ase test --help-calculators" on how to configure calculators. 1075s 1075s * This listing only includes external calculators known by the test 1075s system. Others are "configured" by setting an environment variable 1075s like "ASE_xxx_COMMAND" in order to allow tests to run. Please see 1075s the documentation of that individual calculator. 1075s 1075s 1075s rootdir: /usr/lib/python3/dist-packages/ase/test 1075s configfile: pytest.ini 1075s plugins: mock-3.12.0 1080s collecting ... collected 1963 items 1080s 1080s atoms/test_atom.py::test_atom PASSED [ 0%] 1080s atoms/test_atom.py::test_repr PASSED [ 0%] 1080s atoms/test_atom_scaled_pos.py::test_abc_and_scaled_position PASSED [ 0%] 1080s atoms/test_atom_scaled_pos.py::test_set_scaled_position PASSED [ 0%] 1080s atoms/test_atom_scaled_pos.py::test_set_abc PASSED [ 0%] 1080s atoms/test_atoms.py::test_atoms PASSED [ 0%] 1080s atoms/test_atoms.py::test_numbers_input PASSED [ 0%] 1080s atoms/test_atoms.py::test_bad_array_shape PASSED [ 0%] 1080s atoms/test_atoms.py::test_set_masses PASSED [ 0%] 1080s atoms/test_atoms.py::test_com[0] PASSED [ 0%] 1080s atoms/test_atoms.py::test_com[10] PASSED [ 0%] 1080s atoms/test_atoms_angle.py::test_atoms_angle PASSED [ 0%] 1080s 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[ 15%] 1089s calculator/test_h2morse.py::test_gs_minimum PASSED [ 15%] 1089s calculator/test_h2morse.py::test_gs_io_overlap PASSED [ 15%] 1089s calculator/test_h2morse.py::test_excited_state PASSED [ 15%] 1089s calculator/test_h2morse.py::test_excited_io PASSED [ 15%] 1089s calculator/test_h2morse.py::test_traditional PASSED [ 15%] 1089s calculator/test_lj.py::test_minimum_energy PASSED [ 15%] 1089s calculator/test_lj.py::test_minimum_forces PASSED [ 15%] 1089s calculator/test_lj.py::test_system_changes PASSED [ 15%] 1089s calculator/test_lj.py::test_finite_difference PASSED [ 15%] 1089s calculator/test_lj.py::test_bulk_energies PASSED [ 15%] 1089s calculator/test_lj.py::test_bulk_forces PASSED [ 15%] 1090s calculator/test_lj.py::test_bulk_stress PASSED [ 15%] 1090s calculator/test_mopac.py::test_mopac SKIPPED (use --calculators=mopa...) 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[ 18%] 1090s calculator/vasp/test_vasp_input.py::test_sorting PASSED [ 18%] 1090s calculator/vasp/test_vasp_input.py::test_write_magmom[random-list] PASSED [ 18%] 1090s calculator/vasp/test_vasp_input.py::test_write_magmom[random-tuple] PASSED [ 18%] 1090s calculator/vasp/test_vasp_input.py::test_write_magmom[random-array] PASSED [ 18%] 1090s calculator/vasp/test_vasp_input.py::test_write_magmom[ones-list] PASSED [ 18%] 1090s calculator/vasp/test_vasp_input.py::test_write_magmom[ones-tuple] PASSED [ 18%] 1090s calculator/vasp/test_vasp_input.py::test_write_magmom[ones-array] PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_write_magmom[binaries-list] PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_write_magmom[binaries-tuple] PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_write_magmom[binaries-array] PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_atoms_with_initial_magmoms[random] PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_atoms_with_initial_magmoms[ones] PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_atoms_with_initial_magmoms[binaries] PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_vasp_from_bool PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_vasp_to_bool PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_vasp_args_without_comment[args0-2] PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_vasp_args_without_comment[args1-2] PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_vasp_args_without_comment[args2-0] PASSED [ 19%] 1090s calculator/vasp/test_vasp_input.py::test_vasp_xc PASSED [ 19%] 1090s calculator/vasp/test_vasp_kpoints.py::test_vasp_kpoints_111[vasp] SKIPPED [ 19%] 1090s calculator/vasp/test_vasp_kpoints.py::test_vasp_kpoints_3_tuple[vasp] SKIPPED [ 19%] 1090s calculator/vasp/test_vasp_kpoints.py::test_vasp_kpoints_auto[vasp] SKIPPED [ 19%] 1090s calculator/vasp/test_vasp_kpoints.py::test_vasp_kpoints_1_element_list_gamma[vasp] SKIPPED [ 19%] 1090s calculator/vasp/test_vasp_kpoints.py::test_kspacing_supress_kpoints_file[vasp] SKIPPED [ 19%] 1090s calculator/vasp/test_vasp_kpoints.py::test_negative_kspacing_error[vasp] SKIPPED [ 19%] 1090s calculator/vasp/test_vasp_kpoints.py::test_weighted[vasp] SKIPPED (N...) 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[ 20%] 1090s calculator/vasp/test_version.py::test_vasp_version PASSED [ 20%] 1090s cell/test_cell.py::test_lengths_angles PASSED [ 20%] 1090s cell/test_cell.py::test_new PASSED [ 20%] 1090s cell/test_cell.py::test_handedness PASSED [ 20%] 1090s cell/test_cell_completion.py::test_cell_completion PASSED [ 20%] 1090s cell/test_cell_conv.py::test_cell_conv PASSED [ 20%] 1090s cell/test_cell_uncompletion.py::test_uncomplete[cell0] PASSED [ 20%] 1090s cell/test_cell_uncompletion.py::test_uncomplete[cell1] PASSED [ 21%] 1090s cell/test_conventional_map.py::test_conventional_map[lat0] PASSED [ 21%] 1091s cell/test_conventional_map.py::test_conventional_map[lat1] PASSED [ 21%] 1091s cell/test_conventional_map.py::test_conventional_map[lat2] PASSED [ 21%] 1091s cell/test_conventional_map.py::test_conventional_map[lat3] PASSED [ 21%] 1091s cell/test_conventional_map.py::test_conventional_map[lat4] PASSED [ 21%] 1091s cell/test_conventional_map.py::test_conventional_map[lat5] PASSED [ 21%] 1091s 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[ 29%] 1156s db/test_sqlite.py::test_delete_vacuum PASSED [ 29%] 1156s db/test_sqlite.py::test_delete_vacuum_context PASSED [ 29%] 1157s db/test_sqlite.py::test_update_vacuum PASSED [ 29%] 1157s db/test_sqlite.py::test_update_vacuum_context PASSED [ 29%] 1157s db/test_table.py::test_hide_empty_columns PASSED [ 29%] 1157s db/test_update.py::test_db[x.json] PASSED [ 29%] 1157s db/test_update.py::test_db[x.db] PASSED [ 29%] 1157s dft/test_bandgap.py::test_bandgap PASSED [ 29%] 1157s dft/test_bee.py::test_bee[mBEEF] PASSED [ 29%] 1157s dft/test_bee.py::test_bee[BEEF-vdW] PASSED [ 29%] 1157s dft/test_bee.py::test_bee[mBEEF-vdW] PASSED [ 30%] 1157s dft/test_dos.py::test_dos PASSED [ 30%] 1157s dft/test_hex.py::test_hex PASSED [ 30%] 1158s dft/test_interpolate.py::test_interpolate PASSED [ 30%] 1158s dft/test_kpt_density_monkhorst_pack.py::test_mp PASSED [ 30%] 1158s dft/test_kpts_size_offsets.py::test_gamma_pt PASSED [ 30%] 1158s dft/test_kpts_size_offsets.py::test_222 PASSED [ 30%] 1158s 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fio/test_cif.py::test_empty_or_atomless[] PASSED [ 31%] 1159s fio/test_cif.py::test_empty_or_atomless[data_dummy] PASSED [ 32%] 1159s fio/test_cif.py::test_empty_or_atomless_cifblock PASSED [ 32%] 1159s fio/test_cif.py::test_symbols_questionmark PASSED [ 32%] 1159s fio/test_cif.py::test_bad_occupancies PASSED [ 32%] 1159s fio/test_cif.py::test_spacegroup_named_setting[hexagonal-1] PASSED [ 32%] 1159s fio/test_cif.py::test_spacegroup_named_setting[trigonal-2] PASSED [ 32%] 1159s fio/test_cif.py::test_spacegroup_named_setting[rhombohedral-2] PASSED [ 32%] 1159s fio/test_cif.py::test_cif_roundtrip_periodic PASSED [ 32%] 1159s fio/test_cif.py::test_cif_roundtrip_nonperiodic PASSED [ 32%] 1159s fio/test_cif.py::test_cif_missingvector PASSED [ 32%] 1159s fio/test_cif.py::test_cif_roundtrip_mixed PASSED [ 32%] 1159s fio/test_cif.py::test_loop_with_space PASSED [ 32%] 1159s fio/test_cifblock.py::test_parse_cifloop_simple PASSED [ 32%] 1159s fio/test_cifblock.py::test_parse_cifloop_warn_duplicate_header PASSED [ 32%] 1159s fio/test_cifblock.py::test_parse_cifloop_incomplete PASSED [ 32%] 1159s fio/test_cifblock.py::test_cifloop_roundtrip PASSED [ 32%] 1159s fio/test_cifblock.py::test_repr PASSED [ 32%] 1159s fio/test_cifblock.py::test_mapping PASSED [ 32%] 1159s fio/test_cifblock.py::test_various PASSED [ 32%] 1159s fio/test_cifblock.py::test_deuterium PASSED [ 33%] 1159s fio/test_cml.py::test_ethane PASSED [ 33%] 1159s fio/test_cml.py::test_rutile PASSED [ 33%] 1159s fio/test_compression.py::test_get_compression PASSED [ 33%] 1159s fio/test_compression.py::test_compression_write_single[gz] PASSED [ 33%] 1159s fio/test_compression.py::test_compression_write_single[bz2] PASSED [ 33%] 1159s fio/test_compression.py::test_compression_write_single[xz] PASSED [ 33%] 1159s fio/test_compression.py::test_compression_read_write_single[gz] PASSED [ 33%] 1159s fio/test_compression.py::test_compression_read_write_single[bz2] PASSED [ 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fio/test_dftb.py::test_read_dftb_velocities PASSED [ 34%] 1159s fio/test_dftb.py::test_write_dftb_velocities PASSED [ 34%] 1159s fio/test_dlp.py::test_dlp PASSED [ 34%] 1159s fio/test_dlp.py::test_dlp3 PASSED [ 34%] 1159s fio/test_dlp.py::test_dlp2 PASSED [ 34%] 1159s fio/test_dmol.py::test_dmol PASSED [ 34%] 1159s fio/test_elk.py::test_elk_in PASSED [ 34%] 1159s fio/test_elk.py::test_parse_eigval PASSED [ 34%] 1159s fio/test_elk.py::test_read_elk PASSED [ 34%] 1159s fio/test_eon_masses.py::test_eon_masses PASSED [ 34%] 1159s fio/test_eon_multi_image_read.py::test_eon PASSED [ 34%] 1160s fio/test_eon_readwrite.py::test_eon_readwrite PASSED [ 34%] 1160s fio/test_espresso.py::test_pw_input PASSED [ 34%] 1160s fio/test_espresso.py::test_get_atomic_species PASSED [ 34%] 1160s fio/test_espresso.py::test_pw_output PASSED [ 34%] 1160s fio/test_espresso.py::test_pw_parse_line PASSED [ 34%] 1160s fio/test_espresso.py::test_pw_results_required PASSED [ 34%] 1160s 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1160s fio/test_fileobj.py::test_write_to_obj_name PASSED [ 35%] 1160s fio/test_formats.py::test_no_such_file PASSED [ 35%] 1160s fio/test_formats.py::test_empty_file PASSED [ 35%] 1160s fio/test_formats.py::test_bad_format PASSED [ 36%] 1160s fio/test_gaussian.py::test_read_write_gaussian_cartesian SKIPPED (us...) [ 36%] 1160s fio/test_gaussian.py::test_read_write_gaussian_cartesian_basis_set SKIPPED [ 36%] 1160s fio/test_gaussian.py::test_read_write_gaussian_zmatrix SKIPPED (use ...) [ 36%] 1160s fio/test_gaussian.py::test_incorrect_mol_spec PASSED [ 36%] 1160s fio/test_gaussian.py::test_read_gaussian_in_errors[unsupported_file0] PASSED [ 36%] 1160s fio/test_gaussian.py::test_read_gaussian_in_errors[unsupported_file1] PASSED [ 36%] 1160s fio/test_gaussian.py::test_read_gaussian_in_errors[unsupported_file2] PASSED [ 36%] 1160s fio/test_gaussian.py::test_read_gaussian_in_command PASSED [ 36%] 1160s fio/test_gaussian.py::test_write_gaussian_calc SKIPPED (use --calcul...) [ 36%] 1160s fio/test_gaussian.py::test_read_gaussian_regex PASSED [ 36%] 1160s fio/test_gaussian_out.py::test_match_magic PASSED [ 36%] 1160s fio/test_gaussian_out.py::test_gaussian_out PASSED [ 36%] 1160s fio/test_gen.py::test_gen[gen-None-False] PASSED [ 36%] 1160s fio/test_gen.py::test_gen[gen-None-pbc1] PASSED [ 36%] 1160s fio/test_gen.py::test_gen[gen-None-True] PASSED [ 36%] 1160s fio/test_gen.py::test_gen[gen-cell1-False] PASSED [ 36%] 1160s fio/test_gen.py::test_gen[gen-cell1-pbc1] PASSED [ 36%] 1160s fio/test_gen.py::test_gen[gen-cell1-True] PASSED [ 36%] 1160s fio/test_gen.py::test_gen[dftb-None-False] PASSED [ 36%] 1160s fio/test_gen.py::test_gen[dftb-None-pbc1] PASSED [ 37%] 1160s fio/test_gen.py::test_gen[dftb-None-True] PASSED [ 37%] 1160s fio/test_gen.py::test_gen[dftb-cell1-False] PASSED [ 37%] 1160s fio/test_gen.py::test_gen[dftb-cell1-pbc1] PASSED [ 37%] 1160s fio/test_gen.py::test_gen[dftb-cell1-True] PASSED [ 37%] 1160s fio/test_gen.py::test_gen_multiple PASSED [ 37%] 1160s fio/test_gpaw.py::test_gpaw_output PASSED [ 37%] 1160s fio/test_gpumd.py::test_read_gpumd_input PASSED [ 37%] 1160s fio/test_gpumd.py::test_load_gpumd_input PASSED [ 37%] 1160s fio/test_gpumd.py::test_gpumd_input_write PASSED [ 37%] 1160s fio/test_info.py::test_atoms_info_in_traj PASSED [ 37%] 1160s fio/test_ioformats.py::test_manually PASSED [ 37%] 1160s fio/test_ioformats.py::test_ioformat[abinit-in] PASSED [ 37%] 1160s fio/test_ioformats.py::test_ioformat[abinit-out] PASSED [ 37%] 1160s fio/test_ioformats.py::test_ioformat[aims] PASSED [ 37%] 1160s fio/test_ioformats.py::test_ioformat[aims-output] PASSED [ 37%] 1160s fio/test_ioformats.py::test_ioformat[bundletrajectory] PASSED [ 37%] 1160s fio/test_ioformats.py::test_ioformat[castep-castep] PASSED [ 37%] 1160s fio/test_ioformats.py::test_ioformat[castep-cell] PASSED [ 37%] 1160s fio/test_ioformats.py::test_ioformat[castep-geom] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[castep-md] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[castep-phonon] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[cfg] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[cif] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[cmdft] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[cml] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[cp2k-dcd] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[cp2k-restart] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[crystal] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[cube] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[dacapo-text] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[db] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[dftb] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[dlp4] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[dlp-history] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[dmol-arc] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[dmol-car] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[dmol-incoor] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[elk] PASSED [ 38%] 1160s fio/test_ioformats.py::test_ioformat[elk-in] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[eon] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[eps] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[espresso-in] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[espresso-out] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[exciting] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[extxyz] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[findsym] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gamess-us-out] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gamess-us-in] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gamess-us-punch] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gaussian-in] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gaussian-out] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[acemolecule-out] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[acemolecule-input] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gen] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gif] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gpaw-out] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gpumd] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gpw] PASSED [ 39%] 1160s fio/test_ioformats.py::test_ioformat[gromacs] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[gromos] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[html] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[json] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[jsv] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[lammps-dump-text] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[lammps-dump-binary] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[lammps-data] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[magres] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[mol] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[mp4] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[mustem] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[mysql] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[netcdftrajectory] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[nomad-json] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[nwchem-in] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[nwchem-out] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[octopus-in] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[proteindatabank] PASSED [ 40%] 1160s fio/test_ioformats.py::test_ioformat[png] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[postgresql] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[pov] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[prismatic] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[py] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[sys] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[qbox] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[res] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[rmc6f] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[sdf] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[siesta-xv] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[struct] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[struct_out] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[traj] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[turbomole] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[turbomole-gradient] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[v-sim] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[vasp] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[vasp-out] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[vasp-xdatcar] PASSED [ 41%] 1160s fio/test_ioformats.py::test_ioformat[vasp-xml] PASSED [ 42%] 1160s fio/test_ioformats.py::test_ioformat[vti] PASSED [ 42%] 1160s fio/test_ioformats.py::test_ioformat[vtu] PASSED [ 42%] 1160s fio/test_ioformats.py::test_ioformat[wout] PASSED [ 42%] 1160s fio/test_ioformats.py::test_ioformat[x3d] PASSED [ 42%] 1160s fio/test_ioformats.py::test_ioformat[xsd] PASSED [ 42%] 1160s fio/test_ioformats.py::test_ioformat[xsf] PASSED [ 42%] 1160s fio/test_ioformats.py::test_ioformat[xtd] PASSED [ 42%] 1160s fio/test_ioformats.py::test_ioformat[xyz] PASSED [ 42%] 1160s fio/test_iread_path.py::test_iread_path PASSED [ 42%] 1160s fio/test_json_arrays.py::test_json_arrays PASSED [ 42%] 1160s fio/test_jsonio.py::test_jsonio PASSED [ 42%] 1160s fio/test_jsonio.py::test_dict_with_int_key PASSED [ 42%] 1160s fio/test_jsonio_atoms.py::test_jsonio_atoms PASSED [ 42%] 1160s fio/test_lammpsdump.py::test_recognize_lammpsdump[ITEM: TIMESTEP] PASSED [ 42%] 1160s fio/test_lammpsdump.py::test_recognize_lammpsdump[anything\nITEM: TIMESTEP\nanything] PASSED [ 42%] 1160s fio/test_lammpsdump.py::test_lammpsdump_order PASSED [ 42%] 1160s fio/test_lammpsdump.py::test_lammpsdump_element PASSED [ 42%] 1160s fio/test_lammpsdump.py::test_lammpsdump_errors PASSED [ 42%] 1160s fio/test_lammpsdump.py::test_lammpsdump_position_reading[xs ys zs-True] PASSED [ 42%] 1160s fio/test_lammpsdump.py::test_lammpsdump_position_reading[xsu ysu zsu-True] PASSED [ 43%] 1160s fio/test_lammpsdump.py::test_lammpsdump_position_reading[x y z-False] PASSED [ 43%] 1160s fio/test_lammpsdump.py::test_lammpsdump_position_reading[xu yu zu-False] PASSED [ 43%] 1160s fio/test_lammpsdump.py::test_lammpsdump_bounds[pp pp pp-expected0] PASSED [ 43%] 1160s fio/test_lammpsdump.py::test_lammpsdump_bounds[ss mm ff-expected1] PASSED [ 43%] 1160s fio/test_lammpsdump.py::test_lammpsdump_bounds[fs sm mf-expected2] PASSED [ 43%] 1160s fio/test_lammpsdump.py::test_lammpsdump_bounds[sf ms ff-expected3] PASSED [ 43%] 1160s fio/test_lammpsdump.py::test_lammpsdump_bounds[pp ms ff-expected4] PASSED [ 43%] 1160s fio/test_lammpsdump.py::test_lammpsdump_bounds[ff pp ff-expected5] PASSED [ 43%] 1160s fio/test_lammpsdump.py::test_lammpsdump_bounds[ff mm pp-expected6] PASSED [ 43%] 1160s fio/test_lammpsdump.py::test_lammpsdump_bounds[pp ff pp-expected7] PASSED [ 43%] 1160s fio/test_magmom.py::test_magmom PASSED [ 43%] 1160s fio/test_magres.py::test_magres PASSED [ 43%] 1160s fio/test_match_magic.py::test_match_magic PASSED [ 43%] 1160s fio/test_mustem.py::test_mustem_several_elements PASSED [ 43%] 1160s fio/test_mustem.py::test_mustem_single_elements PASSED [ 43%] 1161s fio/test_netcdftrajectory.py::test_netcdftrajectory PASSED [ 43%] 1161s fio/test_netcdftrajectory.py::test_netcdf_with_variable_atomic_numbers PASSED [ 43%] 1161s fio/test_netcdftrajectory.py::test_netcdf_with_nonconsecutive_index PASSED [ 43%] 1161s fio/test_netcdftrajectory.py::test_types_to_numbers_argument PASSED [ 44%] 1161s fio/test_nomad.py::test_nomad PASSED [ 44%] 1161s fio/test_nwchem.py::test_nwchem PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[abinit-in] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[abinit-out] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[acemolecule-input] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[acemolecule-out] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[aims] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[aims-output] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[bundletrajectory] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[castep-castep] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[castep-cell] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[castep-geom] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[castep-md] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[castep-phonon] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[cfg] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[cif] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[cmdft] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[cml] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[cp2k-dcd] PASSED [ 44%] 1161s fio/test_oi.py::test_ioformat[cp2k-restart] PASSED [ 45%] 1161s fio/test_oi.py::test_ioformat[crystal] PASSED [ 45%] 1161s fio/test_oi.py::test_ioformat[cube] PASSED [ 45%] 1161s fio/test_oi.py::test_ioformat[dacapo-text] PASSED [ 45%] 1162s fio/test_oi.py::test_ioformat[db] PASSED [ 45%] 1162s fio/test_oi.py::test_ioformat[dlp-history] PASSED [ 45%] 1162s fio/test_oi.py::test_ioformat[dlp4] PASSED [ 45%] 1162s fio/test_oi.py::test_ioformat[elk] PASSED [ 45%] 1162s fio/test_oi.py::test_ioformat[elk-in] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[eps] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[espresso-in] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[espresso-out] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[exciting] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[extxyz] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[findsym] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[gamess-us-in] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[gamess-us-out] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[gamess-us-punch] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[gaussian-in] PASSED [ 45%] 1163s fio/test_oi.py::test_ioformat[gaussian-out] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[gen] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[gpaw-out] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[gpumd] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[gpw] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[gromacs] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[gromos] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[html] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[json] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[jsv] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[lammps-dump-binary] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[lammps-dump-text] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[magres] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[mol] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[netcdftrajectory] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[nomad-json] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[nwchem-in] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[nwchem-out] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[octopus-in] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[png] PASSED [ 46%] 1163s fio/test_oi.py::test_ioformat[pov] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[proteindatabank] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[py] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[qbox] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[res] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[rmc6f] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[sdf] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[siesta-xv] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[struct] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[struct_out] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[sys] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[traj] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[turbomole] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[turbomole-gradient] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[vasp] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[vasp-out] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[vasp-xdatcar] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[vasp-xml] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[wout] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[x3d] PASSED [ 47%] 1163s fio/test_oi.py::test_ioformat[xsd] PASSED [ 48%] 1163s fio/test_oi.py::test_ioformat[xsf] PASSED [ 48%] 1163s fio/test_oi.py::test_ioformat[xtd] PASSED [ 48%] 1163s fio/test_oi.py::test_ioformat[xyz] PASSED [ 48%] 1163s fio/test_oldtraj.py::test_oldtraj PASSED [ 48%] 1163s fio/test_openmx.py::test_openmx_out PASSED [ 48%] 1163s fio/test_openmx.py::test_openmx_read_eigenvalues PASSED [ 48%] 1163s fio/test_opls.py::test_opls_write_lammps PASSED [ 48%] 1163s fio/test_parallel.py::test_parallel PASSED [ 48%] 1163s fio/test_pdb_cell_io.py::test_pdb_cell_io PASSED [ 48%] 1163s fio/test_pdb_extra.py::test_pdb_read PASSED [ 48%] 1163s fio/test_pdb_extra.py::test_pdb_read_with_arrays PASSED [ 48%] 1163s fio/test_pickle_bundle_trajectory.py::test_raises PASSED [ 48%] 1163s fio/test_pickle_bundle_trajectory.py::test_write_read_pickle PASSED [ 48%] 1163s fio/test_pickle_bundle_trajectory.py::test_write_read_bundle XFAIL (...) [ 48%] 1163s fio/test_pickle_bundle_trajectory.py::test_append_pickle PASSED [ 48%] 1164s fio/test_pickle_bundle_trajectory.py::test_append_bundle XFAIL (same...) [ 48%] 1164s fio/test_pickle_bundle_trajectory.py::test_old_trajectory_conversion_utility PASSED [ 48%] 1164s fio/test_pickle_bundle_trajectory.py::test_bundletrajectory_info PASSED [ 48%] 1164s fio/test_povray.py::test_povray_io SKIPPED (povray not installed) [ 49%] 1165s fio/test_povray.py::test_povray_highorder SKIPPED (povray not installed) [ 49%] 1165s fio/test_povray.py::test_deprecated PASSED [ 49%] 1165s fio/test_prismatic.py::test_write_read_cycle_xyz_prismatic PASSED [ 49%] 1165s fio/test_prismatic.py::test_write_error PASSED [ 49%] 1165s fio/test_pycodcif_read.py::test_pycodcif PASSED [ 49%] 1165s fio/test_qbox.py::test_read_output PASSED [ 49%] 1165s fio/test_qbox.py::test_format PASSED [ 49%] 1165s fio/test_readwrite_errors.py::test_readwrite_errors PASSED [ 49%] 1165s fio/test_readwrite_errors.py::test_parse_filename_with_at_in_ext PASSED [ 49%] 1165s fio/test_readwrite_errors.py::test_parse_filename_with_at_in_path PASSED [ 49%] 1165s 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forcefields/test_tip4p.py::test_tip4p PASSED [ 53%] 1184s forcefields/test_tipnp.py::test_tipnp PASSED [ 53%] 1185s ga/test_add_candidates.py::test_add_candidates PASSED [ 53%] 1189s ga/test_basic_example_main_run.py::test_basic_example_main_run[0] PASSED [ 53%] 1194s ga/test_bulk_operators.py::test_bulk_operators[0] PASSED [ 53%] 1194s ga/test_chain_operators.py::test_chain_operators[0] PASSED [ 53%] 1194s ga/test_create_database.py::test_create_database PASSED [ 53%] 1194s ga/test_cutandsplicepairing.py::test_cutandsplicepairing[0] PASSED [ 53%] 1196s ga/test_database_logic.py::test_database_logic[0] PASSED [ 53%] 1196s ga/test_element_operators.py::test_element_operators[0] PASSED [ 53%] 1196s ga/test_film_operators.py::test_film_operators[0] PASSED [ 53%] 1196s ga/test_mutations.py::test_mutations[0] PASSED [ 53%] 1197s ga/test_particle_comparators.py::test_particle_comparators[0] PASSED [ 53%] 1197s ga/test_particle_operators.py::test_particle_operators[0] PASSED [ 53%] 1197s ga/test_slab_operators.py::test_cut_splice[0] PASSED [ 53%] 1197s ga/test_slab_operators.py::test_random_composition_mutation[0] PASSED [ 53%] 1197s ga/test_slab_operators.py::test_random_element_mutation[0] PASSED [ 53%] 1197s ga/test_slab_operators.py::test_neighborhood_element_mutation[0] PASSED [ 54%] 1197s ga/test_slab_operators.py::test_random_permutation[0] PASSED [ 54%] 1197s ga/test_standardcomparator.py::test_standardcomparator PASSED [ 54%] 1197s ga/test_utilities.py::test_utilities PASSED [ 54%] 1197s gui/test_run.py::test_nanotube SKIPPED (no display) [ 54%] 1197s gui/test_run.py::test_nanoparticle SKIPPED (no display) [ 54%] 1197s gui/test_run.py::test_color SKIPPED (no display) [ 54%] 1197s gui/test_run.py::test_settings SKIPPED (no display) [ 54%] 1197s gui/test_run.py::test_rotate SKIPPED (no display) [ 54%] 1197s gui/test_run.py::test_open_and_save SKIPPED (no display) [ 54%] 1197s gui/test_run.py::test_export_graphics[None] SKIPPED (no display) [ 54%] 1197s 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[ 54%] 1197s gui/test_run.py::test_fracocc SKIPPED (no display) [ 54%] 1197s gui/test_run.py::test_povray SKIPPED (no display) [ 54%] 1197s gui/test_run.py::test_select_atoms SKIPPED (no display) [ 54%] 1197s gui/test_run.py::test_modify_element SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_modify_tag SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_modify_magmom SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_repeat SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_surface SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_movie SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_reciprocal SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_bad_reciprocal SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_add_atoms SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_cell_editor SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_constrain SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_quickinfo[atoms0] SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_quickinfo[atoms1] SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_quickinfo[atoms2] SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_quickinfo[atoms3] SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_clipboard_copy SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_clipboard_cut_paste SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_clipboard_paste_onto_empty SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_clipboard_paste_onto_existing SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_clipboard_paste_invalid[] SKIPPED (no display) [ 55%] 1197s gui/test_run.py::test_clipboard_paste_invalid[invalid_atoms] SKIPPED [ 56%] 1197s gui/test_run.py::test_clipboard_paste_invalid[[1, 2, 3]] SKIPPED (no...) [ 56%] 1197s gui/test_run.py::test_callbacks SKIPPED (no display) [ 56%] 1197s lammpsdata/test_lammpsdata_read.py::test_lammpsdata_read PASSED [ 56%] 1199s md/test_CO2linear_Au111_langevin.py::test_CO2linear_Au111_langevin PASSED [ 56%] 1200s md/test_ce_curvature.py::test_curvature1 PASSED [ 56%] 1200s md/test_ce_curvature.py::test_curvature2 PASSED [ 56%] 1201s md/test_ce_logging.py::test_logging PASSED [ 56%] 1202s md/test_ce_potentiostat.py::test_potentiostat PASSED [ 56%] 1202s md/test_ce_potentiostat.py::test_potentiostat_no_fs PASSED [ 56%] 1202s md/test_fixrotation.py::test_fixrotation_asap SKIPPED (could not imp...) [ 56%] 1202s md/test_idealgas.py::test_idealgas PASSED [ 56%] 1204s md/test_langevin_switching.py::test_langevin_switching PASSED [ 56%] 1204s md/test_maxwellboltzmann.py::test_maxwellboltzmann PASSED [ 56%] 1204s md/test_md.py::test_md PASSED [ 56%] 1205s md/test_md_logger.py::test_optimizer[FIRE] PASSED [ 56%] 1206s md/test_md_logger.py::test_optimizer[BFGS] PASSED [ 56%] 1206s md/test_md_logger.py::test_md[cls_and_kwargs0] PASSED [ 56%] 1206s md/test_md_logger.py::test_md[cls_and_kwargs1] PASSED [ 56%] 1206s md/test_md_logger_interval.py::test_optimization_log_and_trajectory_length[FIRE] PASSED [ 57%] 1207s md/test_md_logger_interval.py::test_optimization_log_and_trajectory_length[BFGS] PASSED [ 57%] 1207s md/test_md_logger_interval.py::test_md_log_and_trajectory_length[VelocityVerlet-kwargs0-1] PASSED [ 57%] 1207s md/test_md_logger_interval.py::test_md_log_and_trajectory_length[VelocityVerlet-kwargs0-2] PASSED [ 57%] 1207s md/test_md_logger_interval.py::test_md_log_and_trajectory_length[Langevin-kwargs1-1] PASSED [ 57%] 1207s md/test_md_logger_interval.py::test_md_log_and_trajectory_length[Langevin-kwargs1-2] PASSED [ 57%] 1207s md/test_nvt_npt.py::test_nvtberendsen SKIPPED (could not import 'asa...) [ 57%] 1207s md/test_nvt_npt.py::test_nptberendsen SKIPPED (could not import 'asa...) [ 57%] 1207s md/test_nvt_npt.py::test_npt SKIPPED (could not import 'asap3': No m...) [ 57%] 1207s md/test_phonon_md_init.py::test_phonon_md_init SKIPPED (could not im...) [ 57%] 1207s md/test_velocity_distribution.py::test_stationary PASSED [ 57%] 1207s md/test_velocity_distribution.py::test_stationary_propagate PASSED [ 57%] 1207s md/test_velocity_distribution.py::test_zero_rotation PASSED [ 57%] 1207s md/test_verlet_thermostats_asap.py::test_verlet_thermostats_asap SKIPPED [ 57%] 1208s neb/test_COCu111.py::test_COCu111 PASSED [ 57%] 1211s neb/test_COCu111_2.py::test_COCu111_2 PASSED [ 57%] 1211s neb/test_autoneb.py::test_autoneb SKIPPED (could not import 'asap3':...) [ 57%] 1229s neb/test_dynamic_neb.py::test_dynamic_neb PASSED [ 57%] 1229s neb/test_idpp.py::test_idpp PASSED [ 57%] 1229s neb/test_interpolate_images.py::test_interpolate_images_default PASSED [ 57%] 1229s neb/test_interpolate_images.py::test_interpolate_images_fixed PASSED [ 58%] 1229s neb/test_interpolate_images.py::test_interpolate_images_scaled_coord PASSED [ 58%] 1229s neb/test_interpolate_images.py::test_interpolate_images_cell PASSED [ 58%] 1229s neb/test_interpolate_images.py::test_interpolate_images_cell_default_interpolate_cell_scaled_coord PASSED [ 58%] 1231s neb/test_neb_tr.py::test_neb_tr PASSED [ 58%] 1235s neb/test_precon_neb.py::test_neb_methods[aseneb-BFGS-None-None] PASSED [ 58%] 1236s neb/test_precon_neb.py::test_neb_methods[improvedtangent-BFGS-None-None] PASSED [ 58%] 1240s neb/test_precon_neb.py::test_neb_methods[spline-NEBOptimizer-None-ODE] PASSED [ 58%] 1242s neb/test_precon_neb.py::test_neb_methods[string-NEBOptimizer-Exp-ODE] PASSED [ 58%] 1242s neb/test_precon_neb.py::test_neb_optimizers[ODE] PASSED [ 58%] 1243s neb/test_precon_neb.py::test_neb_optimizers[static] PASSED [ 58%] 1243s neb/test_precon_neb.py::test_precon_initialisation PASSED [ 58%] 1243s neb/test_precon_neb.py::test_single_precon_initialisation PASSED [ 58%] 1244s neb/test_precon_neb.py::test_precon_assembly PASSED [ 58%] 1244s neb/test_precon_neb.py::test_spline_fit PASSED [ 58%] 1244s neb/test_precon_neb.py::test_integrate_forces PASSED [ 58%] 1244s neb/test_shared_calculator_neb.py::test_get_neb_method PASSED [ 58%] 1244s neb/test_shared_calculator_neb.py::TestNEB::test_deprecations PASSED [ 58%] 1244s neb/test_shared_calculator_neb.py::TestNEB::test_neb_default PASSED [ 58%] 1244s neb/test_shared_calculator_neb.py::TestNEB::test_raising_parallel_errors PASSED [ 58%] 1244s neb/test_shared_calculator_neb.py::TestNEB::test_no_shared_calc PASSED [ 59%] 1244s neb/test_shared_calculator_neb.py::TestNEB::test_init_checks PASSED [ 59%] 1244s neb/test_shared_calculator_neb.py::TestNEB::test_freeze_method PASSED [ 59%] 1245s neighbor/test_neighbor.py::test_supercell PASSED [ 59%] 1245s neighbor/test_neighbor.py::test_H2 PASSED [ 59%] 1245s neighbor/test_neighbor.py::test_H2_shape_and_type PASSED [ 59%] 1245s neighbor/test_neighbor.py::test_fcc PASSED [ 59%] 1245s neighbor/test_neighbor.py::test_empty_neighbor_list PASSED [ 59%] 1245s neighbor/test_neighbor.py::test_hexagonal_cell_and_large_cutoff PASSED [ 59%] 1245s neighbor/test_neighbor.py::test_small_cell_and_large_cutoff PASSED [ 59%] 1245s neighbor/test_neighbor_initialization.py::test_neighborlist_initialization PASSED [ 59%] 1248s neighbor/test_neighbor_kernel.py::test_neighbor_kernel PASSED [ 59%] 1248s optimize/test_bad_restart.py::test_bad_restart PASSED [ 59%] 1251s optimize/test_fire.py::test_fire PASSED [ 59%] 1251s optimize/test_minimahop.py::test_minimahop SKIPPED (could not import...) 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test_calculator_equal.py::test_array_equal[None-1e-08-b1-a0] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b1-a1] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b1-a2] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b1-a3] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b2-a0] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b2-a1] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b2-a2] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b2-a3] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b3-a0] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b3-a1] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b3-a2] PASSED [ 73%] 1282s test_calculator_equal.py::test_array_equal[None-1e-08-b3-a3] PASSED [ 73%] 1282s 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test_calculator_equal.py::test_array_equal[0-None-b3-a1] PASSED [ 74%] 1282s test_calculator_equal.py::test_array_equal[0-None-b3-a2] PASSED [ 74%] 1282s test_calculator_equal.py::test_array_equal[0-None-b3-a3] PASSED [ 74%] 1282s test_calculator_equal.py::test_array_equal[0-0-b0-a0] PASSED [ 74%] 1282s test_calculator_equal.py::test_array_equal[0-0-b0-a1] PASSED [ 74%] 1282s test_calculator_equal.py::test_array_equal[0-0-b0-a2] PASSED [ 74%] 1282s test_calculator_equal.py::test_array_equal[0-0-b0-a3] PASSED [ 74%] 1282s test_calculator_equal.py::test_array_equal[0-0-b1-a0] PASSED [ 75%] 1282s test_calculator_equal.py::test_array_equal[0-0-b1-a1] PASSED [ 75%] 1282s test_calculator_equal.py::test_array_equal[0-0-b1-a2] PASSED [ 75%] 1282s test_calculator_equal.py::test_array_equal[0-0-b1-a3] PASSED [ 75%] 1282s test_calculator_equal.py::test_array_equal[0-0-b2-a0] PASSED [ 75%] 1282s test_calculator_equal.py::test_array_equal[0-0-b2-a1] PASSED [ 75%] 1282s 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test_calculator_equal.py::test_array_equal[0-1e-08-b1-a3] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[0-1e-08-b2-a0] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[0-1e-08-b2-a1] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[0-1e-08-b2-a2] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[0-1e-08-b2-a3] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[0-1e-08-b3-a0] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[0-1e-08-b3-a1] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[0-1e-08-b3-a2] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[0-1e-08-b3-a3] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b0-a0] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b0-a1] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b0-a2] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b0-a3] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b1-a0] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b1-a1] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b1-a2] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b1-a3] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b2-a0] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b2-a1] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b2-a2] PASSED [ 76%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b2-a3] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b3-a0] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b3-a1] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b3-a2] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-None-b3-a3] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b0-a0] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b0-a1] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b0-a2] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b0-a3] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b1-a0] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b1-a1] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b1-a2] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b1-a3] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b2-a0] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b2-a1] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b2-a2] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b2-a3] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b3-a0] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b3-a1] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b3-a2] PASSED [ 77%] 1282s test_calculator_equal.py::test_array_equal[1e-08-0-b3-a3] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b0-a0] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b0-a1] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b0-a2] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b0-a3] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b1-a0] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b1-a1] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b1-a2] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b1-a3] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b2-a0] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b2-a1] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b2-a2] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b2-a3] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b3-a0] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b3-a1] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b3-a2] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_equal[1e-08-1e-08-b3-a3] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_almost_equal[None-2e-08-b0-a0] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_almost_equal[None-2e-08-b0-a1] PASSED [ 78%] 1282s test_calculator_equal.py::test_array_almost_equal[None-2e-08-b1-a0] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[None-2e-08-b1-a1] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[0-2e-08-b0-a0] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[0-2e-08-b0-a1] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[0-2e-08-b1-a0] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[0-2e-08-b1-a1] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[1e-08-None-b0-a0] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[1e-08-None-b0-a1] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[1e-08-None-b1-a0] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[1e-08-None-b1-a1] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[1e-08-0-b0-a0] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[1e-08-0-b0-a1] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[1e-08-0-b1-a0] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[1e-08-0-b1-a1] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[5e-09-1e-08-b0-a0] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[5e-09-1e-08-b0-a1] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[5e-09-1e-08-b1-a0] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_almost_equal[5e-09-1e-08-b1-a1] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_not_equal[None-None-b0-a0] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_not_equal[None-None-b0-a1] PASSED [ 79%] 1282s test_calculator_equal.py::test_array_not_equal[None-None-b1-a0] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[None-None-b1-a1] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[None-0-b0-a0] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[None-0-b0-a1] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[None-0-b1-a0] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[None-0-b1-a1] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[None-1e-08-b0-a0] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[None-1e-08-b0-a1] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[None-1e-08-b1-a0] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[None-1e-08-b1-a1] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-None-b0-a0] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-None-b0-a1] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-None-b1-a0] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-None-b1-a1] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-0-b0-a0] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-0-b0-a1] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-0-b1-a0] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-0-b1-a1] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-1e-08-b0-a0] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-1e-08-b0-a1] PASSED [ 80%] 1282s test_calculator_equal.py::test_array_not_equal[0-1e-08-b1-a0] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[0-1e-08-b1-a1] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-None-b0-a0] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-None-b0-a1] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-None-b1-a0] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-None-b1-a1] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-0-b0-a0] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-0-b0-a1] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-0-b1-a0] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-0-b1-a1] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-1e-08-b0-a0] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-1e-08-b0-a1] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-1e-08-b1-a0] PASSED [ 81%] 1282s test_calculator_equal.py::test_array_not_equal[1e-08-1e-08-b1-a1] PASSED [ 81%] 1282s test_calculator_label.py::test_calculator_label PASSED [ 81%] 1283s test_checkpoint.py::test_sqlite PASSED [ 81%] 1283s test_checkpoint.py::test_new_style_interface PASSED [ 81%] 1283s test_cluster.py::test_icosa[1] PASSED [ 81%] 1283s test_cluster.py::test_icosa[2] PASSED [ 81%] 1283s test_cluster.py::test_icosa[3] PASSED [ 82%] 1283s test_cluster.py::test_icosa[4] PASSED [ 82%] 1283s test_cluster.py::test_icosa[5] PASSED [ 82%] 1283s test_cluster.py::test_icosa[6] PASSED [ 82%] 1283s test_cluster.py::test_regular_octahedron[1] PASSED [ 82%] 1283s 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test_lattice_lindep.py::test_fcc_directions_ok PASSED [ 88%] 1292s test_lattice_lindep.py::test_hcp_miller_lienarly_dependent PASSED [ 88%] 1292s test_lattice_lindep.py::test_hcp_cell_linearly_dependent PASSED [ 88%] 1292s test_lattice_lindep.py::test_hcp PASSED [ 88%] 1292s test_linesearch_maxstep.py::test_linesearch[BFGS-BFGS] PASSED [ 88%] 1292s test_linesearch_maxstep.py::test_linesearch[BFGSLineSearch-BFGSLineSearch] PASSED [ 89%] 1292s test_linesearch_maxstep.py::test_linesearch[PreconLBFGS-PreconLBFGS_Armijo] PASSED [ 89%] 1292s test_linesearch_maxstep.py::test_linesearch[PreconLBFGS-PreconLBFGS_Wolff] PASSED [ 89%] 1292s test_lock.py::test_cannot_acquire_lock_twice PASSED [ 89%] 1292s test_lock.py::test_lock_close_file_descriptor PASSED [ 89%] 1292s test_loggingcalc.py::test_loggingcalc PASSED [ 89%] 1292s test_makebandpath.py::test_makebandpath PASSED [ 89%] 1292s test_matplotlib_plot.py::test_matplotlib_plot_info_occupancies PASSED [ 89%] 1292s 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test_structure_comparator.py::test_bcc_translation PASSED [ 91%] 1299s test_structure_comparator.py::test_one_atom_out_of_pos PASSED [ 91%] 1299s test_structure_comparator.py::test_reduce_to_primitive PASSED [ 91%] 1300s test_structure_comparator.py::test_order_of_candidates PASSED [ 91%] 1300s test_structure_comparator.py::test_original_paper_structures PASSED [ 91%] 1301s test_structure_comparator.py::test_symmetrical_one_element_out PASSED [ 92%] 1301s test_structure_comparator.py::test_one_vs_many PASSED [ 92%] 1301s test_structure_comparator.py::test_supercell_w_periodic_atom_removed PASSED [ 92%] 1301s test_symbols.py::test_symbols_indexing PASSED [ 92%] 1301s test_symbols.py::test_symbols_vs_get_chemical_symbols PASSED [ 92%] 1301s test_symbols.py::test_str_roundtrip PASSED [ 92%] 1301s test_symbols.py::test_manipulation_with_string PASSED [ 92%] 1301s test_symbols.py::test_search PASSED [ 92%] 1301s test_symbols.py::test_search_two PASSED [ 92%] 1301s 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[ 99%] 1309s vibrations/test_vib.py::TestVibrationsData::test_bad_hessian2d PASSED [ 99%] 1309s vibrations/test_vib.py::TestSlab::test_vibration_on_surface PASSED [ 99%] 1309s vibrations/test_vibrations_example.py::test_vibrations_example PASSED [100%] 1309s 1309s =============================== warnings summary =============================== 1309s conftest.py:31 1309s /usr/lib/python3/dist-packages/ase/test/conftest.py:31: PytestRemovedIn9Warning: The (startdir: py.path.local) argument is deprecated, please use (start_path: pathlib.Path) 1309s see https://docs.pytest.org/en/latest/deprecations.html#py-path-local-arguments-for-hooks-replaced-with-pathlib-path 1309s def pytest_report_header(config, startdir): 1309s 1309s ../atoms.py:1205: 1 warning 1309s atoms/test_atom_scaled_pos.py: 3 warnings 1309s atoms/test_get_angles.py: 3 warnings 1309s build_/test_bulk.py: 1 warning 1309s build_/test_surface.py: 2 warnings 1309s calculator/vasp/test_vasp_input.py: 14 warnings 1309s constraints/test_repeat_FixAtoms.py: 4 warnings 1309s fio/test_cif.py: 1 warning 1309s fio/test_extxyz.py: 6 warnings 1309s fio/test_pickle_bundle_trajectory.py: 6 warnings 1309s fio/test_trajectory_heterogeneous.py: 2 warnings 1309s forcefields/test_forceqmmm.py: 27 warnings 1309s ga/test_basic_example_main_run.py: 6 warnings 1309s ga/test_bulk_operators.py: 14 warnings 1309s ga/test_chain_operators.py: 12 warnings 1309s ga/test_cutandsplicepairing.py: 2 warnings 1309s ga/test_database_logic.py: 32 warnings 1309s ga/test_film_operators.py: 3 warnings 1309s ga/test_mutations.py: 1 warning 1309s md/test_ce_logging.py: 1 warning 1309s md/test_ce_potentiostat.py: 1 warning 1309s md/test_idealgas.py: 1 warning 1309s md/test_langevin_switching.py: 1 warning 1309s neb/test_COCu111.py: 1 warning 1309s neb/test_COCu111_2.py: 1 warning 1309s neighbor/test_neighbor.py: 17 warnings 1309s neighbor/test_neighbor_kernel.py: 8 warnings 1309s optimize/test_optimizers.py: 15 warnings 1309s precon/test_amin.py: 1 warning 1309s precon/test_lbfgs.py: 1 warning 1309s precon/test_precon_assembly.py: 36 warnings 1309s precon/test_unitcellfilter.py: 1 warning 1309s test_dimensionality.py: 3 warnings 1309s test_doctests.py: 7 warnings 1309s test_external_viewer.py: 1 warning 1309s test_forcecurve.py: 1 warning 1309s test_geometry.py: 8 warnings 1309s test_springcalc.py: 1 warning 1309s test_structure_comparator.py: 70 warnings 1309s test_things.py: 1 warning 1309s vibrations/test_bond_polarizability_raman.py: 3 warnings 1309s /usr/lib/python3/dist-packages/ase/atoms.py:1205: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= rep 1309s 1309s :488 1309s :488: RuntimeWarning: numpy.ndarray size changed, may indicate binary incompatibility. Expected 16 from C header, got 96 from PyObject 1309s 1309s build_/test_surface.py: 2 warnings 1309s build_/test_surface_terminations.py: 17 warnings 1309s /usr/lib/python3/dist-packages/ase/build/general_surface.py:77: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s surf *= (1, 1, layers) 1309s 1309s build_/test_surface_terminations.py::test_surface_terminations 1309s /usr/lib/python3/dist-packages/ase/test/build_/test_surface_terminations.py:14: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s slb *= (1, 2, 1) 1309s 1309s calculator/turbomole/test_turbomole_2h2o.py::test_turbomole_2h2o 1309s /usr/lib/python3/dist-packages/ase/io/jsonio.py:42: ResourceWarning: unclosed file <_io.FileIO name='/dev/null' mode='wb' closefd=True> 1309s def object_hook(dct): 1309s Enable tracemalloc to get traceback where the object was allocated. 1309s See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. 1309s 1309s constraints/test_parameteric_constr.py: 67 warnings 1309s fio/test_aims_io.py: 66 warnings 1309s test_parsemath.py: 108 warnings 1309s /usr/lib/python3/dist-packages/ase/utils/parsemath.py:146: DeprecationWarning: ast.Num is deprecated and will be removed in Python 3.14; use ast.Constant instead 1309s if isinstance(node, ast.Num): # 1309s 1309s constraints/test_parameteric_constr.py: 64 warnings 1309s fio/test_aims_io.py: 45 warnings 1309s test_parsemath.py: 50 warnings 1309s /usr/lib/python3/dist-packages/ase/utils/parsemath.py:147: DeprecationWarning: Attribute n is deprecated and will be removed in Python 3.14; use value instead 1309s return node.n 1309s 1309s emt/test_emt_stress.py::test_emt_stress 1309s /usr/lib/python3/dist-packages/ase/test/emt/test_emt_stress.py:13: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s a *= (1, 2, 3) 1309s 1309s fio/test_oi.py: 80 warnings 1309s /usr/lib/python3/dist-packages/ase/test/fio/test_oi.py:33: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= (2, 1, 1) 1309s 1309s fio/test_v_sim.py::test_v_sim 1309s /usr/lib/python3/dist-packages/ase/utils/__init__.py:486: DeprecationWarning: `alltrue` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `all` instead. 1309s obj = func(fd, *args, **kwargs) 1309s 1309s ga/test_add_candidates.py::test_add_candidates 1309s /usr/lib/python3/dist-packages/ase/db/sqlite.py:370: ResourceWarning: unclosed file <_io.FileIO name='/dev/null' mode='wb' closefd=True> 1309s [(key, id) for key in key_value_pairs]) 1309s Enable tracemalloc to get traceback where the object was allocated. 1309s See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. 1309s 1309s ga/test_database_logic.py::test_database_logic[0] 1309s /usr/lib/python3/dist-packages/numpy/core/_ufunc_config.py:462: ResourceWarning: unclosed file <_io.TextIOWrapper name='/dev/null' mode='w' encoding='UTF-8'> 1309s token = NO_NEP50_WARNING.set(True) 1309s Enable tracemalloc to get traceback where the object was allocated. 1309s See https://docs.pytest.org/en/stable/how-to/capture-warnings.html#resource-warnings for more info. 1309s 1309s md/test_md.py::test_md 1309s /usr/lib/python3/dist-packages/ase/test/md/test_md.py:13: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s fcc *= (2, 1, 1) 1309s 1309s neb/test_precon_neb.py::test_neb_methods[aseneb-BFGS-None-None] 1309s /usr/lib/python3/dist-packages/ase/test/neb/test_precon_neb.py:26: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s initial *= N_cell 1309s 1309s neb/test_shared_calculator_neb.py::TestNEB::test_deprecations 1309s neb/test_shared_calculator_neb.py::TestNEB::test_deprecations 1309s neb/test_shared_calculator_neb.py::TestNEB::test_deprecations 1309s neb/test_shared_calculator_neb.py::TestNEB::test_deprecations 1309s /usr/lib/python3/dist-packages/ase/neb.py:156: RuntimeWarning: invalid value encountered in divide 1309s factor = tangent / tangent_mag 1309s 1309s neighbor/test_neighbor.py::test_small_cell_and_large_cutoff 1309s /usr/lib/python3/dist-packages/ase/test/neighbor/test_neighbor.py:193: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= (2, 2, 2) 1309s 1309s optimize/test_fire.py::test_fire 1309s /usr/lib/python3/dist-packages/ase/test/optimize/test_fire.py:12: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s a *= (2, 2, 2) 1309s 1309s optimize/test_fire.py::test_fire 1309s /usr/lib/python3/dist-packages/ase/test/optimize/test_fire.py:24: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s a *= (2, 2, 2) 1309s 1309s optimize/test_replay.py::test_replay 1309s /usr/lib/python3/dist-packages/ase/test/optimize/test_replay.py:17: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s a *= (2, 2, 1) # 2x2 (100) surface-cell 1309s 1309s precon/test_lbfgs.py::test_preconlbfgs 1309s /usr/lib/python3/dist-packages/ase/test/precon/test_lbfgs.py:15: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s a0 *= (N, N, N) 1309s 1309s test_basin.py::test_basin 1309s /usr/lib/python3/dist-packages/ase/optimize/basin.py:71: DeprecationWarning: `sometrue` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `any` instead. 1309s self.Emin = self.get_energy(self.atoms.get_positions()) or 1.e32 1309s 1309s test_basin.py::test_basin 1309s /usr/lib/python3/dist-packages/ase/optimize/basin.py:81: DeprecationWarning: `sometrue` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `any` instead. 1309s Eo = self.get_energy(ro) 1309s 1309s test_basin.py: 10 warnings 1309s /usr/lib/python3/dist-packages/ase/optimize/basin.py:87: DeprecationWarning: `sometrue` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `any` instead. 1309s En = self.get_energy(rn) 1309s 1309s test_dimensionality.py::test_mx2[TSA] 1309s test_dimensionality.py::test_mx2[RDA] 1309s /usr/lib/python3/dist-packages/ase/test/test_dimensionality.py:14: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= 2 1309s 1309s test_dimensionality.py::test_isolation_2D 1309s /usr/lib/python3/dist-packages/ase/test/test_dimensionality.py:80: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= 2 1309s 1309s test_doctests.py::test_doctest[ase.phasediagram] 1309s test_pourbaix.py::test_pourbaix 1309s /usr/lib/python3/dist-packages/ase/phasediagram.py:253: OptimizeWarning: Unrecognized options detected: {'lstsq': True}. These will be passed to HiGHS verbatim. 1309s result = linprog(c=energies, 1309s 1309s test_geometry_derivatives.py: 21 warnings 1309s /usr/lib/python3/dist-packages/ase/test/test_geometry_derivatives.py:42: 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.) 1309s derivs[i, j] = (plus - minus) / (2 * epsilon) 1309s 1309s test_potential_energies.py::test_potential_energies 1309s /usr/lib/python3/dist-packages/ase/test/test_potential_energies.py:10: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= (2, 2, 2) 1309s 1309s test_root_surf.py::test_root_surf 1309s test_root_surf.py::test_root_surf 1309s test_root_surf.py::test_root_surf 1309s test_root_surf.py::test_root_surf 1309s test_root_surf.py::test_root_surf 1309s test_root_surf.py::test_root_surf 1309s /usr/lib/python3/dist-packages/ase/build/root.py:172: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= (root, root, 1) 1309s 1309s test_root_surf.py::test_root_surf 1309s /usr/lib/python3/dist-packages/ase/build/root.py:35: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= (size[0], size[1], 1) 1309s 1309s test_root_surf.py::test_root_surf 1309s /usr/lib/python3/dist-packages/ase/build/root.py:52: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= (size[0], size[1], 1) 1309s 1309s test_root_surf.py::test_root_surf 1309s /usr/lib/python3/dist-packages/ase/build/root.py:19: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= (size[0], size[1], 1) 1309s 1309s test_stress.py::test_stress 1309s /usr/lib/python3/dist-packages/ase/test/test_stress.py:45: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s atoms *= (1, 2, 3) 1309s 1309s test_structure_comparator.py::test_supercell_w_periodic_atom_removed 1309s /usr/lib/python3/dist-packages/ase/test/test_structure_comparator.py:294: DeprecationWarning: `product` is deprecated as of NumPy 1.25.0, and will be removed in NumPy 2.0. Please use `prod` instead. 1309s s1 *= (2, 1, 1) 1309s 1309s -- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html 1309s = 1659 passed, 300 skipped, 3 xfailed, 1 xpassed, 888 warnings in 235.10s (0:03:55) = 1313s autopkgtest [12:54:39]: test command1: -----------------------] 1314s command1 PASS 1314s autopkgtest [12:54:40]: test command1: - - - - - - - - - - results - - - - - - - - - - 1314s autopkgtest [12:54:40]: @@@@@@@@@@@@@@@@@@@@ summary 1314s command1 PASS 1374s nova [W] Skipping flock in bos03-arm64 1374s Creating nova instance adt-oracular-arm64-python-ase-20240608-123246-juju-7f2275-prod-proposed-migration-environment-2-963e357a-2536-486f-ad63-821a7d75ba8f from image adt/ubuntu-oracular-arm64-server-20240608.img (UUID 22fa5d69-8269-442f-bb5d-fd1454f7b08f)...