Package: src:pymatgen Version: 2025.2.18+dfsg1-4 Severity: serious Tags: ftbfs trixie sid
Dear maintainer: During a rebuild of all packages in unstable, your package failed to build: -------------------------------------------------------------------------------- [...] debian/rules clean dh clean --buildsystem=pybuild dh_auto_clean -O--buildsystem=pybuild debian/rules execute_after_dh_auto_clean make[1]: Entering directory '/<<PKGBUILDDIR>>' rm -f pymatgen/optimization/linear_assignment.c pymatgen/optimization/neighbors.c pymatgen/util/coord_cython.c rm -rf pd.json .hypothesis tmp_dir make[1]: Leaving directory '/<<PKGBUILDDIR>>' dh_autoreconf_clean -O--buildsystem=pybuild dh_clean -O--buildsystem=pybuild debian/rules binary dh binary --buildsystem=pybuild dh_update_autotools_config -O--buildsystem=pybuild dh_autoreconf -O--buildsystem=pybuild [... snipped ...] /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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: 10620 warnings /<<PKGBUILDDIR>>/.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: 2160 warnings /<<PKGBUILDDIR>>/.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: 1080 warnings /<<PKGBUILDDIR>>/.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: 18720 warnings /<<PKGBUILDDIR>>/.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: 708 warnings /<<PKGBUILDDIR>>/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:437: 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: 144 warnings /<<PKGBUILDDIR>>/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:439: 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: 72 warnings /<<PKGBUILDDIR>>/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:449: 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: 1248 warnings /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:126: 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 /<<PKGBUILDDIR>>/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:145: 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: 84 warnings /<<PKGBUILDDIR>>/.pybuild/test_python3.13/pymatgen/analysis/piezo_sensitivity.py:243: 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: 98 warnings /<<PKGBUILDDIR>>/.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::TestPourbaixDiagram::test_multielement_parallel .pybuild/test_python3.13/tests/analysis/test_pourbaix_diagram.py::TestPourbaixDiagram::test_multielement_parallel /usr/lib/python3.13/multiprocessing/popen_fork.py:67: DeprecationWarning: This process (pid=10651) 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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 .pybuild/test_python3.13/tests/analysis/test_reaction_calculator.py::TestComputedReaction::test_calculated_reaction_energy_uncertainty_for_nan .pybuild/test_python3.13/tests/analysis/test_reaction_calculator.py::TestComputedReaction::test_calculated_reaction_energy_uncertainty_for_no_uncertainty /<<PKGBUILDDIR>>/.pybuild/test_python3.13/pymatgen/analysis/reaction_calculator.py:489: 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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.pybuild/test_python3.13/tests/core/test_tensors.py:207: 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_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee .pybuild/test_python3.13/tests/core/test_tensors.py::TestTensor::test_convert_to_ieee /usr/lib/python3/dist-packages/numpy/_core/_methods.py:44: 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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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=10651) 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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 /<<PKGBUILDDIR>>/.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 ============================= 27.04s call .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py::TestCubicSupercellTransformation::test_apply_transformation_orthorhombic_supercell 20.68s call .pybuild/test_python3.13/tests/electronic_structure/test_plotter.py::TestBSPlotterProjected::test_methods 15.18s call .pybuild/test_python3.13/tests/analysis/test_fragmenter.py::TestFragmentMolecule::test_pc_then_ec_depth_10 13.98s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_plot 12.35s call .pybuild/test_python3.13/tests/ext/test_optimade.py::TestOptimade::test_update_aliases 11.36s call .pybuild/test_python3.13/tests/symmetry/test_kpath_lm.py::TestKPathLatimerMunro::test_kpath_generation 10.76s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_tdos 10.37s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_debye_temp_phonopy 10.01s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_average_gruneisen 9.86s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_acoustic_debye_temp 9.79s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_frequencies 9.73s call .pybuild/test_python3.13/tests/analysis/elasticity/test_elastic.py::TestElasticTensorExpansion::test_get_yield_stress 9.65s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_gruneisen 9.63s call .pybuild/test_python3.13/tests/io/test_phonopy.py::TestGruneisen::test_gruneisen_parameter 9.61s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_as_from_dict 9.54s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_multi 9.53s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_phdos 9.51s call .pybuild/test_python3.13/tests/phonon/test_gruneisen.py::TestGruneisenParameter::test_thermal_conductivity_slack 8.68s call .pybuild/test_python3.13/tests/io/vasp/test_optics.py::TestVasprun::test_optics 8.39s call .pybuild/test_python3.13/tests/core/test_surface.py::TestSlabGenerator::test_non_stoichiometric_symmetrized_slab 8.26s call .pybuild/test_python3.13/tests/analysis/test_structure_analyzer.py::TestMiscFunction::test_average_coordination_number 8.03s call .pybuild/test_python3.13/tests/core/test_surface.py::TestSlab::test_symmetrization 7.85s call .pybuild/test_python3.13/tests/io/test_packmol.py::TestPackmolSet::test_chdir_behavior 7.75s call .pybuild/test_python3.13/tests/io/lobster/test_inputs.py::TestLobsterin::test_standard_with_energy_range_from_vasprun 7.62s call .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_runtype 6.50s call .pybuild/test_python3.13/tests/io/vasp/test_outputs.py::TestVasprun::test_vasprun_soc 6.27s call .pybuild/test_python3.13/tests/io/lobster/test_lobsterenv.py::TestLobsterNeighbors::test_get_info_cohps_to_neighbors 6.03s call .pybuild/test_python3.13/tests/io/qchem/test_outputs.py::TestQCOutput::test_nbo_hyperbonds 5.99s call .pybuild/test_python3.13/tests/io/qchem/test_outputs.py::TestQCOutput::test_nbo7_infinite_e2pert 5.43s call .pybuild/test_python3.13/tests/cli/test_pmg_plot.py::test_plot_chgint =========================== 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_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] .pybuild/test_python3.13/tests/analysis/test_surface_analysis.py:270: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_surface_analysis.py:278: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_surface_analysis.py:256: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/analysis/test_surface_analysis.py:286: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_bader_caller.py:119: bader executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_bader_caller.py:84: bader executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_bader_caller.py:66: bader executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_bader_caller.py:136: bader executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_critic2_caller.py:26: critic2 executable not 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] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:272: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:114: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:139: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:144: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:135: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:120: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:130: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:126: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:283: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:212: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:320: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:332: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:315: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:356: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:345: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:352: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:363: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:359: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:383: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:373: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:379: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_gulp_caller.py:386: gulp not present. SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:67: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:101: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:28: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:51: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:59: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:77: mcsqs executable not present SKIPPED [1] .pybuild/test_python3.13/tests/command_line/test_mcsqs_caller.py:89: mcsqs executable not present SKIPPED [1] .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. 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SKIPPED [19] .pybuild/test_python3.13/tests/electronic_structure/test_plotter.py: No x_trans executable found 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_inputs.py:1717: TODO: need someone to fix this SKIPPED [1] .pybuild/test_python3.13/tests/symmetry/test_kpaths.py:21: No seek path present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:97: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:158: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:188: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:207: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:237: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:249: enum_lib not present. SKIPPED [1] .pybuild/test_python3.13/tests/transformations/test_advanced_transformations.py:364: enum_lib not present. SKIPPED [1] .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. = 1 failed, 2686 passed, 145 skipped, 292 deselected, 291145 warnings in 713.83s (0:11:53) = ..tot conformations = 3 ..tot confs tested = 3 ..below energy threshold = 3 make[1]: *** [debian/rules:115: override_dh_auto_test] Error 1 make[1]: Leaving directory '/<<PKGBUILDDIR>>' make: *** [debian/rules:100: binary] Error 2 dpkg-buildpackage: error: debian/rules binary subprocess returned exit status 2 -------------------------------------------------------------------------------- The above is just how the build ends and not necessarily the most relevant part. If required, the full build log is available here: https://people.debian.org/~sanvila/build-logs/202505/ About the archive rebuild: The build was made on virtual machines from AWS, using sbuild and a reduced chroot with only build-essential packages. If you could not reproduce the bug please contact me privately, as I am willing to provide ssh access to a virtual machine where the bug is fully reproducible. If this is really a bug in one of the build-depends, please use reassign and add an affects on src:pymatgen, so that this is still visible in the BTS web page for this package. Thanks.
