Diff of the two buildlogs: -- --- b1/build.log 2025-08-12 09:11:05.697949709 +0000 +++ b2/build.log 2025-08-12 10:16:39.598877222 +0000 @@ -1,6 +1,7 @@ +W: cgroups are not available on the host, not using them. I: pbuilder: network access will be disabled during build -I: Current time: Mon Aug 11 20:05:18 -12 2025 -I: pbuilder-time-stamp: 1754985918 +I: Current time: Tue Sep 15 05:34:07 +14 2026 +I: pbuilder-time-stamp: 1789400047 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/trixie-reproducible-base.tgz] I: copying local configuration @@ -37,53 +38,84 @@ dpkg-source: info: applying skip-performance-tests.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/3521515/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/797498/tmp/hooks/D01_modify_environment starting +debug: Running on codethink03-arm64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Sep 14 15:34 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/797498/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/797498/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='arm64' - DEBIAN_FRONTEND='noninteractive' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="37" [3]="1" [4]="release" [5]="aarch64-unknown-linux-gnu") + BASH_VERSION='5.2.37(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=arm64 + DEBIAN_FRONTEND=noninteractive DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=12 ' - DISTRIBUTION='trixie' - HOME='/root' - HOST_ARCH='arm64' + DIRSTACK=() + DISTRIBUTION=trixie + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=aarch64 + HOST_ARCH=arm64 IFS=' ' - INVOCATION_ID='8305d0ce3b524ee09be352cee7dfcd7e' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='3521515' - PS1='# ' - PS2='> ' + LANG=C + LANGUAGE=nl_BE:nl + LC_ALL=C + MACHTYPE=aarch64-unknown-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=797498 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Kni8Apik/pbuilderrc_V5vT --distribution trixie --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Kni8Apik/b1 --logfile b1/build.log pymatgen_2025.2.18+dfsg1-5.dsc' - SUDO_GID='109' - SUDO_HOME='/var/lib/jenkins' - SUDO_UID='104' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://192.168.101.4:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.Kni8Apik/pbuilderrc_ry04 --distribution trixie --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/trixie-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.Kni8Apik/b2 --logfile b2/build.log pymatgen_2025.2.18+dfsg1-5.dsc' + SUDO_GID=109 + SUDO_HOME=/var/lib/jenkins + SUDO_UID=104 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://192.168.101.4:3128 I: uname -a - Linux codethink04-arm64 6.12.38+deb13-cloud-arm64 #1 SMP Debian 6.12.38-1 (2025-07-16) aarch64 GNU/Linux + Linux i-capture-the-hostname 6.12.38+deb13-cloud-arm64 #1 SMP Debian 6.12.38-1 (2025-07-16) aarch64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 May 12 19:25 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/3521515/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 May 12 2025 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/797498/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -577,7 +609,7 @@ Get: 379 http://deb.debian.org/debian trixie/main arm64 python3-tabulate all 0.9.0-1 [45.9 kB] Get: 380 http://deb.debian.org/debian trixie/main arm64 python3-uncertainties all 3.2.3-3 [55.8 kB] Get: 381 http://deb.debian.org/debian trixie/main arm64 python3-vtk9 arm64 9.3.0+dfsg1-4+b1 [7008 kB] -Fetched 532 MB in 48s (11.1 MB/s) +Fetched 532 MB in 17s (30.9 MB/s) Preconfiguring packages ... Selecting previously unselected package fonts-lato. (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 ... 19965 files and directories currently installed.) @@ -1804,8 +1836,8 @@ Setting up tzdata (2025b-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Tue Aug 12 08:08:05 UTC 2025. -Universal Time is now: Tue Aug 12 08:08:05 UTC 2025. +Local time is now: Mon Sep 14 15:35:32 UTC 2026. +Universal Time is now: Mon Sep 14 15:35:32 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libxcb-present0:arm64 (1.17.0-2+b1) ... @@ -2149,7 +2181,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/pymatgen-2025.2.18+dfsg1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../pymatgen_2025.2.18+dfsg1-5_source.changes +I: user script /srv/workspace/pbuilder/797498/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for trixie +I: user script /srv/workspace/pbuilder/797498/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/pymatgen-2025.2.18+dfsg1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../pymatgen_2025.2.18+dfsg1-5_source.changes dpkg-buildpackage: info: source package pymatgen dpkg-buildpackage: info: source version 2025.2.18+dfsg1-5 dpkg-buildpackage: info: source distribution unstable @@ -2182,8 +2218,8 @@ ******************************************************************************** Please use a simple string containing a SPDX expression for `project.license`. You can also use `project.license-files`. (Both options available on setuptools>=77.0.0). - By 2026-Feb-18, you need to update your project and remove deprecated calls - or your builds will no longer be supported. + This deprecation is overdue, please update your project and remove deprecated + calls to avoid build errors in the future. See https://packaging.python.org/en/latest/guides/writing-pyproject-toml/#license for details. ******************************************************************************** @@ -3409,7 +3445,7 @@ Copying src/pymatgen.egg-info to build/bdist.linux-aarch64/wheel/./pymatgen-2025.2.18.egg-info running install_scripts creating build/bdist.linux-aarch64/wheel/pymatgen-2025.2.18.dist-info/WHEEL -creating '/build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/.tmp-0_iepcze/pymatgen-2025.2.18-cp313-cp313-linux_aarch64.whl' and adding 'build/bdist.linux-aarch64/wheel' to it +creating '/build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/.tmp-9zrrj2v9/pymatgen-2025.2.18-cp313-cp313-linux_aarch64.whl' and adding 'build/bdist.linux-aarch64/wheel' to it adding 'pymatgen/dao.py' adding 'pymatgen/py.typed' adding 'pymatgen/alchemy/__init__.py' @@ -3912,8 +3948,8 @@ reading sources... [ 6%] pymatgen reading sources... [ 8%] pymatgen.alchemy reading sources... [ 10%] pymatgen.analysis -mkdir -p failed for path /nonexistent/first-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' -Matplotlib created a temporary cache directory at /tmp/matplotlib-fhebl7n_ because there was an issue with the default path (/nonexistent/first-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. +mkdir -p failed for path /nonexistent/second-build/.config/matplotlib: [Errno 13] Permission denied: '/nonexistent' +Matplotlib created a temporary cache directory at /tmp/matplotlib-8vru8bxh because there was an issue with the default path (/nonexistent/second-build/.config/matplotlib); it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. reading sources... [ 12%] pymatgen.analysis.chemenv reading sources... [ 14%] pymatgen.analysis.chemenv.connectivity reading sources... [ 16%] pymatgen.analysis.chemenv.coordination_environments @@ -4158,8 +4194,8 @@ /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/units.py:docstring of pymatgen.core.units:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/units.py:docstring of pymatgen.core.units:8: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/units.py:docstring of pymatgen.core.units.unitized:14: ERROR: Unexpected indentation. [docutils] -WARNING: Failed to get a method signature for pymatgen.core.xcfunc.XcFunc.name: is not a callable object -WARNING: Failed to get a method signature for pymatgen.core.xcfunc.XcFunc.type: is not a callable object +WARNING: Failed to get a method signature for pymatgen.core.xcfunc.XcFunc.name: is not a callable object +WARNING: Failed to get a method signature for pymatgen.core.xcfunc.XcFunc.type: is not a callable object /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/libxcfunc.py:docstring of pymatgen.core.libxcfunc.LibxcFunc.all_kinds:1: ERROR: Unknown target name: "xc". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/core/xcfunc.py:docstring of pymatgen.core.xcfunc.XcFunc:29: ERROR: Unknown target name: "xc". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/electronic_structure/bandstructure.py:docstring of pymatgen.electronic_structure.bandstructure.BandStructure.get_cbm:4: WARNING: Bullet list ends without a blank line; unexpected unindent. [docutils] @@ -4250,13 +4286,13 @@ /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.ShiftMode:6: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.calc_shiftk:30: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/inputs.py:docstring of pymatgen.io.abinit.inputs.calc_shiftk:37: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] -WARNING: Failed to get a method signature for pymatgen.io.abinit.netcdf.EtsfReader.chemical_symbols: is not a callable object -WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.ae_core_density: is not a callable object -WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.ae_partial_waves: is not a callable object -WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.projector_functions: is not a callable object -WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.pseudo_core_density: is not a callable object -WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.root: is not a callable object -WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.Pseudo.md5: is not a callable object +WARNING: Failed to get a method signature for pymatgen.io.abinit.netcdf.EtsfReader.chemical_symbols: is not a callable object +WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.ae_core_density: is not a callable object +WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.ae_partial_waves: is not a callable object +WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.projector_functions: is not a callable object +WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.pseudo_core_density: is not a callable object +WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.PawXmlSetup.root: is not a callable object +WARNING: Failed to get a method signature for pymatgen.io.abinit.pseudos.Pseudo.md5: is not a callable object /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.NcAbinitHeader.gth_header:9: ERROR: Unexpected indentation. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.NcAbinitHeader.oncvpsp_header:5: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/abinit/pseudos.py:docstring of pymatgen.io.abinit.pseudos.NcAbinitHeader.oncvpsp_header:6: WARNING: Block quote ends without a blank line; unexpected unindent. [docutils] @@ -4865,7 +4901,7 @@ /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/sets.py:docstring of pymatgen.io.vasp.sets.MP24RelaxSet:17: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/sets.py:docstring of pymatgen.io.vasp.sets.MP24RelaxSet:21: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/io/vasp/sets.py:docstring of pymatgen.io.vasp.sets.MP24RelaxSet:30: WARNING: Definition list ends without a blank line; unexpected unindent. [docutils] -WARNING: Failed to get a method signature for pymatgen.phonon.dos.PhononDos.ind_zero_freq: is not a callable object +WARNING: Failed to get a method signature for pymatgen.phonon.dos.PhononDos.ind_zero_freq: is not a callable object /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/phonon/ir_spectra.py:docstring of pymatgen.phonon.ir_spectra.IRDielectricTensor:1: ERROR: Unknown interpreted text role "cite". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/phonon/ir_spectra.py:docstring of pymatgen.phonon.ir_spectra.IRDielectricTensor:5: ERROR: Unknown interpreted text role "cite". [docutils] /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/cpython3_3.13_pymatgen/build/pymatgen/phonon/plotter.py:docstring of pymatgen.phonon.plotter.PhononDosPlotter:4: ERROR: Unexpected indentation. [docutils] @@ -5303,951 +5339,22 @@ .pybuild/test_python3.13/tests/io/test_adf.py .............. [ 74%] .pybuild/test_python3.13/tests/io/test_ase.py ......................... [ 75%] .pybuild/test_python3.13/tests/io/test_atat.py .... [ 75%] -.pybuild/test_python3.13/tests/io/test_babel.py .......... [ 75%] -.pybuild/test_python3.13/tests/io/test_cif.py ........s................. [ 76%] -..................... [ 77%] -.pybuild/test_python3.13/tests/io/test_common.py .. [ 77%] -.pybuild/test_python3.13/tests/io/test_core.py ......... [ 77%] -.pybuild/test_python3.13/tests/io/test_cssr.py .. [ 78%] -.pybuild/test_python3.13/tests/io/test_fiesta.py .. [ 78%] -.pybuild/test_python3.13/tests/io/test_gaussian.py ................. [ 78%] -.pybuild/test_python3.13/tests/io/test_jarvis.py ss [ 78%] -.pybuild/test_python3.13/tests/io/test_lmto.py ..... [ 78%] -.pybuild/test_python3.13/tests/io/test_multiwfn.py ..... [ 79%] -.pybuild/test_python3.13/tests/io/test_nwchem.py ............ [ 79%] -.pybuild/test_python3.13/tests/io/test_optimade.py . [ 79%] -.pybuild/test_python3.13/tests/io/test_packmol.py ......... [ 79%] -.pybuild/test_python3.13/tests/io/test_phonopy.py ........... [ 80%] -.pybuild/test_python3.13/tests/io/test_prismatic.py . [ 80%] -.pybuild/test_python3.13/tests/io/test_pwscf.py ............. [ 80%] -.pybuild/test_python3.13/tests/io/test_res.py ............... [ 81%] -.pybuild/test_python3.13/tests/io/test_template_input.py . [ 81%] -.pybuild/test_python3.13/tests/io/test_wannier90.py .... [ 81%] -.pybuild/test_python3.13/tests/io/test_xcrysden.py .... [ 81%] -.pybuild/test_python3.13/tests/io/test_xr.py .. [ 81%] -.pybuild/test_python3.13/tests/io/test_xyz.py ........ [ 82%] -.pybuild/test_python3.13/tests/io/vasp/test_help.py sss [ 82%] -.pybuild/test_python3.13/tests/io/vasp/test_inputs.py .................. [ 82%] -......................................................s............. [ 85%] -.pybuild/test_python3.13/tests/io/vasp/test_optics.py ... [ 85%] -.pybuild/test_python3.13/tests/io/vasp/test_outputs.py ................. [ 85%] -........................................................................ [ 88%] -................... [ 89%] -.pybuild/test_python3.13/tests/io/xtb/test_inputs.py .. [ 89%] -.pybuild/test_python3.13/tests/optimization/test_linear_assignment.py .. [ 89%] -.. [ 89%] -.pybuild/test_python3.13/tests/optimization/test_neighbors.py . [ 89%] -.pybuild/test_python3.13/tests/phonon/test_bandstructure.py ........... [ 89%] -.pybuild/test_python3.13/tests/phonon/test_dos.py ................... [ 90%] -.pybuild/test_python3.13/tests/phonon/test_gruneisen.py .............. [ 90%] -.pybuild/test_python3.13/tests/phonon/test_ir_spectra.py . [ 90%] -.pybuild/test_python3.13/tests/phonon/test_plotter.py ........ [ 91%] -.pybuild/test_python3.13/tests/phonon/test_thermal_displacements.py .... [ 91%] -.......... [ 91%] -.pybuild/test_python3.13/tests/symmetry/test_analyzer.py ............... [ 92%] -.................. [ 92%] -.pybuild/test_python3.13/tests/symmetry/test_groups.py ................. [ 93%] -....... [ 93%] -.pybuild/test_python3.13/tests/symmetry/test_kpath_lm.py ... [ 93%] -.pybuild/test_python3.13/tests/symmetry/test_kpath_sc.py .. [ 93%] -.pybuild/test_python3.13/tests/symmetry/test_kpaths.py .s [ 94%] -.pybuild/test_python3.13/tests/symmetry/test_maggroups.py ...... [ 94%] -.pybuild/test_python3.13/tests/symmetry/test_settings.py .... 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[100%] - -=============================== warnings summary =============================== -.pybuild/test_python3.13/tests/analysis/chemenv/utils/test_func_utils.py::TestFuncUtils::test_csm_infinite_ratio_function - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/chemenv/utils/math_utils.py:333: RuntimeWarning: divide by zero encountered in scalar divide - return np.where(np.isclose(xx, 0.0), aa * float("inf"), aa * np.power(xx - 1.0, 2) / xx) - -.pybuild/test_python3.13/tests/analysis/chemenv/utils/test_func_utils.py::TestFuncUtils::test_csm_infinite_ratio_function - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/chemenv/utils/math_utils.py:351: RuntimeWarning: divide by zero encountered in scalar divide - aa * np.power(xx - 1.0, 2) / xx**2.0, - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 96974 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 4 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 8 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 16 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 8 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 468 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:364: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 48487 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 2 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 4 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 8 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 4 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 234 warnings - /usr/lib/python3/dist-packages/numpy/_core/_methods.py:64: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 5280 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 117 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 3 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 360 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 1776 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 15 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 215 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:287: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 14329 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 363 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 31 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 1272 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 7104 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 10 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 63 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 10977 warnings - /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2447: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 1788 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 36 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 2 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 159 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 888 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 6 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 1369 warnings - /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2448: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 1793 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 51 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 5 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 159 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 888 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 2 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 9 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 1374 warnings - /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2449: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 1910 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 108 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 17 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 159 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 888 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 16 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 18 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 1629 warnings - /usr/lib/python3/dist-packages/numpy/_core/_methods.py:73: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 52 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 40 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 162 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 592 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/strain.py:196: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 5 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 296 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/elastic.py:92: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 5 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 81 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 592 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 1 warning - /usr/lib/python3/dist-packages/numpy/_core/_methods.py:52: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 1174 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 54 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:110: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py::TestElasticTensor::test_from_independent_strains - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py:228: UserWarning: - - Extra strain states in strain-stress pairs are neglected in independent strain fitting - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 12 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/elastic.py:482: UserWarning: - - Tensor is not symmetric, information may be lost in Voigt conversion. - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 30 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 18 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 4 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 4 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 3 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 84 warnings - /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:761: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 28 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 4 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 1 warning -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 2 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 84 warnings - /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:762: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 99 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 57 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 12 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 12 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 9 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 255 warnings - /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:774: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 58 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 22 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 5 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 6 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 3 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 168 warnings - /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:816: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 28 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 4 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 1 warning -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 2 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 84 warnings - /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:815: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 58 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 22 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 5 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 6 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 3 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 168 warnings - /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:819: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 28 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 4 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 1 warning -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 2 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 84 warnings - /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:818: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 56 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 8 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 2 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 4 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 168 warnings - /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:843: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 124 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 60 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 13 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 6 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 9 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 338 warnings - /usr/lib/python3/dist-packages/numpy/_core/numeric.py:2451: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 33 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py: 19 warnings -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py: 4 warnings -.pybuild/test_python3.13/tests/analysis/test_nmr.py: 4 warnings -.pybuild/test_python3.13/tests/analysis/test_piezo.py: 3 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 85 warnings - /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:852: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 36 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 8 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:629: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 6912 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 1536 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:633: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 6912 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 1536 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:634: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 6912 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 1536 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:635: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 3456 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 768 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:636: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 6912 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 1536 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:637: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 3474 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 2775 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:327: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 36 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 8 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:665: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 18 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 4 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:666: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py: 11 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/elastic.py:584: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. 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(Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence -.pybuild/test_python3.13/tests/analysis/elasticity/test_strain.py::TestDeformation::test_independence - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/strain.py:63: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. 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(Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/stress.py:89: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/elasticity/test_stress.py::TestStress::test_properties - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/stress.py:101: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 81 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 296 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/strain.py:235: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 81 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 296 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/elasticity/strain.py:237: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 78 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 592 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 82 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:1021: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/interfaces/test_coherent_interface.py: 78 warnings -.pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py: 592 warnings -.pybuild/test_python3.13/tests/core/test_tensors.py: 82 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:992: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_graphs.py: 17 warnings -.pybuild/test_python3.13/tests/command_line/test_critic2_caller.py: 5 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/command_line/critic2_caller.py:490: DeprecationWarning: - - Parsing critic2 standard output is deprecated and will not be maintained, please use the native JSON output in the future. - -.pybuild/test_python3.13/tests/analysis/test_interface_reactions.py: 24 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/analysis/test_interface_reactions.py:368: DeprecationWarning: - - Arrays of 2-dimensional vectors are deprecated. Use arrays of 3-dimensional vectors instead. (deprecated in NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_nmr.py::TestChemicalShieldingNotation::test_notations - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/nmr.py:91: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_nmr.py::TestChemicalShieldingNotation::test_notations - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/nmr.py:104: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_nmr.py::TestChemicalShieldingNotation::test_notations - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/nmr.py:112: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_nmr.py::TestChemicalShieldingNotation::test_principal_axis_system -.pybuild/test_python3.13/tests/analysis/test_nmr.py::TestElectricFieldGradient::test_principal_axis_system - /usr/lib/python3/dist-packages/numpy/testing/_private/utils.py:851: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 120 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:385: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 590 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:387: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 120 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:388: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 60 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:396: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 1040 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:393: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 14160 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:568: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 2880 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:571: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 1440 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:581: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 24960 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:578: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 944 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:437: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. 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(Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 1664 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:446: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 88 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:126: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. 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(Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_piezo_sensitivity.py: 98 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:244: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/analysis/test_pourbaix_diagram.py: 12 warnings - /usr/lib/python3.13/multiprocessing/popen_fork.py:67: DeprecationWarning: - - This process (pid=3551113) is multi-threaded, use of fork() may lead to deadlocks in the child. - -.pybuild/test_python3.13/tests/analysis/test_quasirrho.py::TestQuasiRRHO::test_extreme_temperature_and_pressure - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/quasirrho.py:243: RuntimeWarning: - - overflow encountered in exp - -.pybuild/test_python3.13/tests/analysis/test_quasirrho.py::TestQuasiRRHO::test_extreme_temperature_and_pressure - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/quasirrho.py:244: RuntimeWarning: - - overflow encountered in exp - -.pybuild/test_python3.13/tests/analysis/test_reaction_calculator.py::TestComputedReaction::test_calculated_reaction_energy_uncertainty - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/analysis/reaction_calculator.py:493: FutureWarning: - - AffineScalarFunc.__lt__() is deprecated. It will be removed in a future release. - -.pybuild/test_python3.13/tests/core/test_structure.py::TestStructure::test_rotate_sites - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/structure.py:4699: RuntimeWarning: - - invalid value encountered in divide - -.pybuild/test_python3.13/tests/core/test_tensors.py: 18 warnings - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/core/test_tensors.py:207: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. 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(Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_round - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/core/test_tensors.py:376: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_round - /usr/lib/python3/dist-packages/numpy/_core/fromnumeric.py:48: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/core/test_tensors.py::TestTensorCollection::test_list_based_functions - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/core/test_tensors.py:409: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/core/test_tensors.py::TestSquareTensor::test_get_scaled - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/core/tensors.py:1003: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/core/test_tensors.py::TestSquareTensor::test_properties -.pybuild/test_python3.13/tests/core/test_tensors.py::TestSquareTensor::test_properties - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/core/test_tensors.py:524: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/core/test_tensors.py::TestSquareTensor::test_refine_rotation - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/core/test_tensors.py:556: DeprecationWarning: - - __array_wrap__ must accept context and return_scalar arguments (positionally) in the future. (Deprecated NumPy 2.0) - -.pybuild/test_python3.13/tests/electronic_structure/test_bandstructure.py::TestLobsterBandStructureSymmLine::test_proj_bandstructure_plot - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/electronic_structure/plotter.py:1119: RuntimeWarning: - - More than 20 figures have been opened. Figures created through the pyplot interface (`matplotlib.pyplot.figure`) are retained until explicitly closed and may consume too much memory. (To control this warning, see the rcParam `figure.max_open_warning`). Consider using `matplotlib.pyplot.close()`. - -.pybuild/test_python3.13/tests/electronic_structure/test_dos.py::TestFermiDos::test_doping_fermi - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/electronic_structure/dos.py:527: RuntimeWarning: - - divide by zero encountered in divide - -.pybuild/test_python3.13/tests/entries/test_compatibility.py::TestMaterialsProjectCompatibility::test_parallel_process_entries -.pybuild/test_python3.13/tests/entries/test_compatibility.py::TestMaterialsProjectCompatibility::test_parallel_process_entries -.pybuild/test_python3.13/tests/entries/test_compatibility.py::TestMaterialsProjectCompatibility::test_parallel_process_entries - /usr/lib/python3/dist-packages/joblib/externals/loky/backend/fork_exec.py:38: DeprecationWarning: - - This process (pid=3551113) is multi-threaded, use of fork() may lead to deadlocks in the child. - -.pybuild/test_python3.13/tests/io/lammps/test_data.py::TestLammpsData::test_get_str -.pybuild/test_python3.13/tests/io/lammps/test_data.py::TestLammpsData::test_write_file -.pybuild/test_python3.13/tests/io/lammps/test_data.py::TestLammpsData::test_write_file -.pybuild/test_python3.13/tests/io/lammps/test_data.py::TestCombinedData::test_as_lammpsdata -.pybuild/test_python3.13/tests/io/lammps/test_data.py::TestCombinedData::test_get_str - /usr/lib/python3/dist-packages/numpy/_core/fromnumeric.py:57: FutureWarning: - - 'DataFrame.swapaxes' is deprecated and will be removed in a future version. Please use 'DataFrame.transpose' instead. - -.pybuild/test_python3.13/tests/io/test_cif.py::TestCifIO::test_cif_writer_write_file - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/io/cif.py:1767: FutureWarning: - - We strongly discourage using implicit binary/text `mode`, and this would not be allowed after 2025-06-01. I.e. you should pass t/b in `mode`. - -.pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_dfpt_ionic - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:366: UnconvergedVASPWarning: - - /usr/share/doc/pymatgen-test-files/examples/files/io/vasp/outputs/vasprun.dfpt.ionic.xml.gz is an unconverged VASP run. - Electronic convergence reached: True. - Ionic convergence reached: False. - -.pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_dfpt_unconverged - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:373: UnconvergedVASPWarning: - - /usr/share/doc/pymatgen-test-files/examples/files/io/vasp/outputs/vasprun.dfpt.unconverged.xml.gz is an unconverged VASP run. - Electronic convergence reached: False. - Ionic convergence reached: True. - -.pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_runtype - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:159: UnconvergedVASPWarning: - - /usr/share/doc/pymatgen-test-files/examples/files/io/vasp/outputs/vasprun.hse06.xml.gz is an unconverged VASP run. - Electronic convergence reached: False. - Ionic convergence reached: True. - -.pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_runtype - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:165: UnconvergedVASPWarning: - - /usr/share/doc/pymatgen-test-files/examples/files/io/vasp/outputs/vasprun.dfpt.ionic.xml.gz is an unconverged VASP run. - Electronic convergence reached: True. - Ionic convergence reached: False. - -.pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_standard - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:238: RuntimeWarning: - - invalid value encountered in divide - -.pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_standard - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:243: RuntimeWarning: - - invalid value encountered in divide - -.pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_standard - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:248: RuntimeWarning: - - invalid value encountered in divide - -.pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_standard - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/tests/io/vasp/test_outputs.py:256: RuntimeWarning: - - invalid value encountered in divide - -.pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestWavecar::test_standard - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/io/vasp/outputs.py:5008: RuntimeWarning: - - invalid value encountered in cast - -.pybuild/test_python3.13/tests/phonon/test_plotter.py::TestPhononBSPlotter::test_proj_plot - /build/reproducible-path/pymatgen-2025.2.18+dfsg1/.pybuild/test_python3.13/pymatgen/phonon/plotter.py:514: RuntimeWarning: - - More than 20 figures have been opened. Figures created through the pyplot interface (`matplotlib.pyplot.figure`) are retained until explicitly closed and may consume too much memory. (To control this warning, see the rcParam `figure.max_open_warning`). Consider using `matplotlib.pyplot.close()`. - --- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html -============================= slowest 30 durations ============================= -1274.77s call .pybuild/test_python3.13/tests/io/test_babel.py::TestBabelMolAdaptor::test_rotor_search_rrs -114.83s call .pybuild/test_python3.13/tests/io/test_babel.py::TestBabelMolAdaptor::test_rotor_search_wrs -75.37s call .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py::TestCubicSupercellTransformation::test_apply_transformation_orthorhombic_supercell -74.03s call .pybuild/test_python3.13/tests/analysis/test_fragmenter.py::TestFragmentMolecule::test_pc_then_ec_depth_10 -49.16s call .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py::TestElasticTensorExpansion::test_get_yield_stress -47.97s call .pybuild/test_python3.13/tests/analysis/test_structure_analyzer.py::TestMiscFunction::test_average_coordination_number -36.26s call .pybuild/test_python3.13/tests/electronic_structure/test_plotter.py::TestBSPlotterProjected::test_methods -33.73s call .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py::TestScaleToRelaxedTransformation::test_apply_transformation -28.49s call .pybuild/test_python3.13/tests/symmetry/test_kpath_lm.py::TestKPathLatimerMunro::test_kpath_generation -28.04s call .pybuild/test_python3.13/tests/io/vasp/test_optics.py::TestVasprun::test_optics -27.46s call .pybuild/test_python3.13/tests/core/test_surface.py::TestSlabGenerator::test_non_stoichiometric_symmetrized_slab -26.19s call .pybuild/test_python3.13/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_from_bulk_and_miller -24.25s call .pybuild/test_python3.13/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_generate_substitution_structures -22.50s call .pybuild/test_python3.13/tests/analysis/topological/test_spillage.py::TestSolar::test_spillage_from_vasprun -21.69s call .pybuild/test_python3.13/tests/io/test_common.py::TestPMGDir::test_getitem -21.51s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_plot -21.16s call .pybuild/test_python3.13/tests/analysis/interfaces/test_substrate_analyzer.py::test_substrate_analyzer_init -20.79s call .pybuild/test_python3.13/tests/analysis/test_local_env.py::TestVoronoiNN::test_filtered -20.50s call .pybuild/test_python3.13/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_generate_adsorption_structures -20.27s call .pybuild/test_python3.13/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_find_adsorption_sites -19.59s call .pybuild/test_python3.13/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_adsorb_both_surfaces -19.03s call .pybuild/test_python3.13/tests/io/test_babel.py::TestBabelMolAdaptor::test_rotor_search_srs -18.91s call .pybuild/test_python3.13/tests/analysis/test_adsorption.py::TestAdsorbateSiteFinder::test_functions -18.15s call .pybuild/test_python3.13/tests/analysis/test_transition_state.py::TestNEBAnalysis::test_run -17.70s call .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py::TestElasticTensorExpansion::test_from_diff_fit -17.23s call .pybuild/test_python3.13/tests/io/test_phonopy.py::TestGruneisen::test_gruneisen_parameter -17.15s call .pybuild/test_python3.13/tests/analysis/test_transition_state.py::TestNEBAnalysis::test_combine_neb_plots -17.02s call .pybuild/test_python3.13/tests/core/test_surface.py::TestSlab::test_symmetrization -17.00s call .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_runtype -16.80s call .pybuild/test_python3.13/tests/analysis/test_transition_state.py::TestNEBAnalysis::test_get_plot -=========================== short test summary info ============================ -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap2.py:27: No boltztrap2 -SKIPPED [1] .pybuild/test_python3.13/tests/ext/test_cod.py:25: www.crystallography.net is down -SKIPPED [1] .pybuild/test_python3.13/tests/ext/test_matproj.py:44: MP API is down -SKIPPED [1] .pybuild/test_python3.13/tests/io/test_openff.py:25: could not import 'openff.toolkit': No module named 'openff' -SKIPPED [1] .pybuild/test_python3.13/tests/io/test_shengbte.py:10: could not import 'f90nml': No module named 'f90nml' -SKIPPED [1] .pybuild/test_python3.13/tests/io/test_zeopp.py:20: zeo not installed -SKIPPED [1] .pybuild/test_python3.13/tests/performance/test_import_time.py:32: ref time only comparable in CI runner -SKIPPED [1] .pybuild/test_python3.13/tests/symmetry/test_kpath_hin.py:11: seekpath not installed -SKIPPED [1] .pybuild/test_python3.13/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py:174: TODO: need someone to fix this -SKIPPED [1] .pybuild/test_python3.13/tests/analysis/chemenv/coordination_environments/test_coordination_geometry_finder.py:169: TODO: need someone to fix this -SKIPPED [1] .pybuild/test_python3.13/tests/analysis/magnetism/test_analyzer.py:264: enumlib not present -SKIPPED [1] .pybuild/test_python3.13/tests/analysis/magnetism/test_analyzer.py:300: enumlib not present -SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_graphs.py:351: graphviz executables not present -SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_graphs.py:243: Need someone to fix this, see issue 4206 -SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_local_env.py:1367: critic2 executable not present -SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_molecule_structure_comparator.py:144: TODO: need someone to fix this -SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_surface_analysis.py:263: TODO: need someone to fix this -SKIPPED [1] 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present -SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_critic2_caller.py:62: critic2 executable not present -SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_enumlib_caller.py:93: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_enumlib_caller.py:81: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_enumlib_caller.py:123: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:41: gulp not present. -SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:74: gulp not present. -SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:181: gulp not present. -SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:148: gulp not present. -SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:236: gulp not present. -SKIPPED [1] 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.pybuild/test_python3.13/tests/command_line/test_vampire_caller.py:34: vampire executable not present -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:714: Only run this in CI tests -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:107: enumlib or mcsqs executable not present -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:988: could not import 'moyopy': No module named 'moyopy' -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:1931: chgnet is not built against NumPy 2.0 -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2003: TODO: #3958 wait for matgl resolve of torch dependency -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:1021: PMG_MAPI_KEY environment variable not set or MP API is down. This is also the case in a PR. -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:1906: chgnet is not built against NumPy 2.0 -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2015: TODO: #3958 wait for matgl resolve of torch dependency -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2026: TODO: #3958 wait for matgl resolve of torch dependency -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2035: TODO: #3958 wait for matgl resolve of torch dependency -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2668: could not import 'tblite': No module named 'tblite' -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_structure.py:2676: Pytorch and TBLite clash. https://github.com/materialsproject/pymatgen/pull/3060 -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_surface.py:700: This test relies on neighbor orders and is hard coded. Disable temporarily -SKIPPED [1] .pybuild/test_python3.13/tests/core/test_xcfunc.py:56: TODO: -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:254: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:221: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:241: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:169: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:199: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:232: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:101: No FDINT -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:123: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:203: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:132: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:116: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:86: No FDINT -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:207: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:141: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:157: No x_trans. -SKIPPED [1] .pybuild/test_python3.13/tests/electronic_structure/test_boltztrap.py:43: No x_trans. -SKIPPED [19] .pybuild/test_python3.13/tests/electronic_structure/test_plotter.py: No x_trans executable found -SKIPPED [1] .pybuild/test_python3.13/tests/ext/test_optimade.py:58: MP OPTIMADE is down. -SKIPPED [1] .pybuild/test_python3.13/tests/ext/test_optimade.py:81: At least one MC OPTIMADE API is down. -SKIPPED [1] .pybuild/test_python3.13/tests/ext/test_optimade.py:40: MP OPTIMADE is down. -SKIPPED [1] .pybuild/test_python3.13/tests/ext/test_optimade.py:93: OPTIMADE providers list is down. -SKIPPED [1] .pybuild/test_python3.13/tests/io/exciting/test_inputs.py:137: inconsistent data -SKIPPED [1] .pybuild/test_python3.13/tests/io/test_cif.py:322: non-free PF*.cif test files are not available -SKIPPED [1] .pybuild/test_python3.13/tests/io/test_jarvis.py:12: JARVIS-tools not loaded. -SKIPPED [1] .pybuild/test_python3.13/tests/io/test_jarvis.py:20: JARVIS-tools not loaded. -SKIPPED [1] .pybuild/test_python3.13/tests/io/vasp/test_help.py:19: www.vasp.at is down -SKIPPED [1] .pybuild/test_python3.13/tests/io/vasp/test_help.py:28: www.vasp.at is down -SKIPPED [1] .pybuild/test_python3.13/tests/io/vasp/test_help.py:34: www.vasp.at is down -SKIPPED [1] .pybuild/test_python3.13/tests/io/vasp/test_inputs.py:1717: TODO: need someone to fix this -SKIPPED [1] 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.pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:304: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:342: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:334: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:352: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:492: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:540: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:549: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:607: mcsqs not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:617: mcsqs not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:638: mcsqs not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:670: icet not installed. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:656: icet not installed. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:681: icet not installed. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:874: hiphive not present -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_site_transformations.py:214: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:238: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:255: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:273: enum_lib not present. -SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_standard_transformations.py:279: enum_lib not present. -= 2677 passed, 153 skipped, 292 deselected, 302707 warnings in 3445.44s (0:57:25) = -..tot conformations = 3 -..tot confs tested = 3 -..below energy threshold = 3 -make[1]: Leaving directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' - create-stamp debian/debhelper-build-stamp - dh_testroot -O--buildsystem=pybuild - dh_prep -O--buildsystem=pybuild - dh_auto_install -O--buildsystem=pybuild -I: pybuild plugin_pyproject:178: Copying package built for python3.13 to destdir - dh_installdocs -O--buildsystem=pybuild -dh_installdocs: warning: Cannot auto-detect main package for python-pymatgen-doc. If the default is wrong, please use --doc-main-package - dh_sphinxdoc -i -O--buildsystem=pybuild - dh_installchangelogs -O--buildsystem=pybuild - dh_installman -O--buildsystem=pybuild - dh_python3 -O--buildsystem=pybuild -I: dh_python3 tools:114: replacing shebang in debian/python3-pymatgen/usr/bin/feff_plot_cross_section -I: dh_python3 tools:114: replacing shebang in debian/python3-pymatgen/usr/bin/feff_plot_dos -I: dh_python3 tools:114: replacing shebang in debian/python3-pymatgen/usr/bin/get_environment -I: dh_python3 tools:114: replacing shebang in debian/python3-pymatgen/usr/bin/pmg -I: dh_python3 pydist:339: Ignoring complex environment marker: boltztrap2>=24.9.4; platform_system != "Windows" and extra == "optional" -I: dh_python3 pydist:339: Ignoring complex environment marker: tblite[ase]>=0.3.0; (platform_system == "Linux" and python_version < "3.12") and extra == "tblite" - debian/rules execute_after_dh_python3 -make[1]: Entering directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' -dh_numpy3 -Possible precedence issue with control flow operator (return) at /usr/bin/dh_numpy3 line 57. +.pybuild/test_python3.13/tests/io/test_babel.py .......make[1]: *** [debian/rules:115: override_dh_auto_test] Error 137 make[1]: Leaving directory '/build/reproducible-path/pymatgen-2025.2.18+dfsg1' - dh_installsystemduser -O--buildsystem=pybuild - dh_perl -O--buildsystem=pybuild - dh_link -O--buildsystem=pybuild - dh_strip_nondeterminism -O--buildsystem=pybuild - dh_compress -O--buildsystem=pybuild - dh_fixperms -O--buildsystem=pybuild - dh_missing -O--buildsystem=pybuild - dh_dwz -a -O--buildsystem=pybuild - dh_strip -a -O--buildsystem=pybuild - dh_makeshlibs -a -O--buildsystem=pybuild - dh_shlibdeps -a -O--buildsystem=pybuild -dpkg-shlibdeps: warning: diversions involved - output may be incorrect - diversion by libc6 from: /lib/ld-linux-aarch64.so.1 -dpkg-shlibdeps: warning: diversions involved - output may be incorrect - diversion by libc6 to: /lib/ld-linux-aarch64.so.1.usr-is-merged - dh_installdeb -O--buildsystem=pybuild - dh_gencontrol -O--buildsystem=pybuild -dpkg-gencontrol: warning: package python-pymatgen-doc: substitution variable ${sphinxdoc:Built-Using} unused, but is defined - dh_md5sums -O--buildsystem=pybuild - dh_builddeb -O--buildsystem=pybuild -dpkg-deb: building package 'python3-pymatgen-dbgsym' in '../python3-pymatgen-dbgsym_2025.2.18+dfsg1-5_arm64.deb'. -dpkg-deb: building package 'python3-pymatgen' in '../python3-pymatgen_2025.2.18+dfsg1-5_arm64.deb'. -dpkg-deb: building package 'python-pymatgen-doc' in '../python-pymatgen-doc_2025.2.18+dfsg1-5_all.deb'. - dpkg-genbuildinfo --build=binary -O../pymatgen_2025.2.18+dfsg1-5_arm64.buildinfo - dpkg-genchanges --build=binary -O../pymatgen_2025.2.18+dfsg1-5_arm64.changes -dpkg-genchanges: info: binary-only upload (no source code included) - dpkg-source --after-build . -dpkg-source: info: using options from pymatgen-2025.2.18+dfsg1/debian/source/options: --extend-diff-ignore=^[^/]*[.]egg-info/ -dpkg-buildpackage: info: binary-only upload (no source included) -dpkg-genchanges: info: not including original source code in upload +make: *** [debian/rules:100: binary] Error 2 +dpkg-buildpackage: error: debian/rules binary subprocess returned exit status 2 I: copying local configuration +E: Failed autobuilding of package +I: user script /srv/workspace/pbuilder/797498/tmp/hooks/C01_cleanup starting +debug output: disk usage on i-capture-the-hostname at Mon Sep 14 16:39:36 UTC 2026 +Filesystem Size Used Avail Use% Mounted on +tmpfs 16G 0 16G 0% /dev/shm + +I: user script /srv/workspace/pbuilder/797498/tmp/hooks/C01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/3521515 and its subdirectories -I: Current time: Mon Aug 11 21:11:04 -12 2025 -I: pbuilder-time-stamp: 1754989864 +I: removing directory /srv/workspace/pbuilder/797498 and its subdirectories