Update supported Python versions in setup.py classifiers
Hi hiphive team,
Thanks a ton for the effort and could we update the supported Python versions in setup.py (I believe up to Python 3.12 is supported, tried to run unit tests locally)?
Test log on Python 3.12 (got a ton of warnings BTW):
================================================================ test session starts ================================================================
platform darwin -- Python 3.12.5, pytest-8.3.2, pluggy-1.5.0
rootdir: /Users/yang/developer/hiphive
collected 102 items
tests/integration/test_ase_calculator.py . [ 0%]
tests/integration/test_compare_calculators.py . [ 1%]
tests/integration/test_crystal_structures.py . [ 2%]
tests/integration/test_eigentensor_symmetry.py . [ 3%]
tests/integration/test_energy_fit_vector.py . [ 4%]
tests/integration/test_fcs_sensing.py . [ 5%]
tests/integration/test_force_constants_integration.py . [ 6%]
tests/integration/test_logging.py . [ 7%]
tests/integration/test_numba_einsum.py . [ 8%]
tests/integration/test_rotational_constraint_matrix.py . [ 9%]
tests/integration/test_rotational_sum_rules.py . [ 10%]
tests/integration/test_self_consistent_phonons.py . [ 11%]
tests/integration/test_shengBTE.py . [ 12%]
tests/integration/test_structure_generation_phonon.py . [ 13%]
tests/integration/test_structure_generation_rattle.py . [ 14%]
tests/integration/test_translational_constraint_matrix.py . [ 15%]
tests/integration/test_translational_constraint_vectors.py . [ 16%]
tests/integration/test_translational_sum_rules.py . [ 17%]
tests/integration/test_translational_sum_rules_with_constraint_matrix.py . [ 18%]
tests/unittests/core/test_atoms.py .. [ 20%]
tests/unittests/core/test_orbit.py . [ 21%]
tests/unittests/core/test_structure_alignment.py . [ 22%]
tests/unittests/fio/test_gpumd.py .... [ 26%]
tests/unittests/fio/test_phonopy.py ... [ 29%]
tests/unittests/test_cluster_space.py ............ [ 41%]
tests/unittests/test_cluster_space_data.py .. [ 43%]
tests/unittests/test_cutoffs.py ... [ 46%]
tests/unittests/test_force_constant_model.py . [ 47%]
tests/unittests/test_force_constant_potential.py ....... [ 53%]
tests/unittests/test_force_constants.py ........................ [ 77%]
tests/unittests/test_structure_container.py ............... [ 92%]
tests/unittests/test_utilities.py .... [ 96%]
tests/unittests/test_zbl.py .... [100%]
================================================================= warnings summary ==================================================================
venv/lib/python3.12/site-packages/spglib/spglib.py:115: 1 warning
tests/integration/test_compare_calculators.py: 1 warning
tests/integration/test_crystal_structures.py: 18 warnings
tests/integration/test_eigentensor_symmetry.py: 7 warnings
tests/integration/test_energy_fit_vector.py: 2 warnings
tests/integration/test_fcs_sensing.py: 4 warnings
tests/integration/test_logging.py: 2 warnings
tests/integration/test_rotational_constraint_matrix.py: 1 warning
tests/integration/test_rotational_sum_rules.py: 1 warning
tests/integration/test_self_consistent_phonons.py: 1 warning
tests/integration/test_shengBTE.py: 2 warnings
tests/integration/test_structure_generation_phonon.py: 2 warnings
tests/integration/test_translational_constraint_matrix.py: 1 warning
tests/integration/test_translational_constraint_vectors.py: 1 warning
tests/integration/test_translational_sum_rules.py: 16 warnings
tests/integration/test_translational_sum_rules_with_constraint_matrix.py: 1 warning
tests/unittests/test_cluster_space.py: 30 warnings
tests/unittests/test_cluster_space_data.py: 2 warnings
tests/unittests/test_force_constant_potential.py: 8 warnings
tests/unittests/test_structure_container.py: 6 warnings
/Users/yang/developer/hiphive/venv/lib/python3.12/site-packages/spglib/spglib.py:115: DeprecationWarning: dict interface (SpglibDataset['international']) is deprecated.Use attribute interface ({self.__class__.__name__}.{key}) instead
warnings.warn(
venv/lib/python3.12/site-packages/spglib/spglib.py:115: 1 warning
tests/integration/test_compare_calculators.py: 1 warning
tests/integration/test_crystal_structures.py: 18 warnings
tests/integration/test_eigentensor_symmetry.py: 7 warnings
tests/integration/test_energy_fit_vector.py: 2 warnings
tests/integration/test_fcs_sensing.py: 4 warnings
tests/integration/test_logging.py: 2 warnings
tests/integration/test_rotational_constraint_matrix.py: 1 warning
tests/integration/test_rotational_sum_rules.py: 1 warning
tests/integration/test_self_consistent_phonons.py: 1 warning
tests/integration/test_shengBTE.py: 2 warnings
tests/integration/test_structure_generation_phonon.py: 2 warnings
tests/integration/test_translational_constraint_matrix.py: 1 warning
tests/integration/test_translational_constraint_vectors.py: 1 warning
tests/integration/test_translational_sum_rules.py: 16 warnings
tests/integration/test_translational_sum_rules_with_constraint_matrix.py: 1 warning
tests/unittests/test_cluster_space.py: 30 warnings
tests/unittests/test_cluster_space_data.py: 2 warnings
tests/unittests/test_force_constant_potential.py: 8 warnings
tests/unittests/test_structure_container.py: 6 warnings
/Users/yang/developer/hiphive/venv/lib/python3.12/site-packages/spglib/spglib.py:115: DeprecationWarning: dict interface (SpglibDataset['number']) is deprecated.Use attribute interface ({self.__class__.__name__}.{key}) instead
warnings.warn(
venv/lib/python3.12/site-packages/spglib/spglib.py:115: 1 warning
tests/integration/test_compare_calculators.py: 2 warnings
tests/integration/test_crystal_structures.py: 18 warnings
tests/integration/test_eigentensor_symmetry.py: 14 warnings
tests/integration/test_energy_fit_vector.py: 2 warnings
tests/integration/test_fcs_sensing.py: 2 warnings
tests/integration/test_logging.py: 4 warnings
tests/integration/test_rotational_constraint_matrix.py: 2 warnings
tests/integration/test_rotational_sum_rules.py: 2 warnings
tests/integration/test_self_consistent_phonons.py: 2 warnings
tests/integration/test_shengBTE.py: 2 warnings
tests/integration/test_structure_generation_phonon.py: 2 warnings
tests/integration/test_translational_constraint_matrix.py: 3 warnings
tests/integration/test_translational_constraint_vectors.py: 2 warnings
tests/integration/test_translational_sum_rules.py: 16 warnings
tests/integration/test_translational_sum_rules_with_constraint_matrix.py: 2 warnings
tests/unittests/test_cluster_space.py: 103 warnings
tests/unittests/test_cluster_space_data.py: 4 warnings
tests/unittests/test_structure_container.py: 48 warnings
/Users/yang/developer/hiphive/venv/lib/python3.12/site-packages/spglib/spglib.py:115: DeprecationWarning: dict interface (SpglibDataset['equivalent_atoms']) is deprecated.Use attribute interface ({self.__class__.__name__}.{key}) instead
warnings.warn(
venv/lib/python3.12/site-packages/spglib/spglib.py:115: 1 warning
tests/integration/test_compare_calculators.py: 131 warnings
tests/integration/test_crystal_structures.py: 1072 warnings
tests/integration/test_eigentensor_symmetry.py: 4475 warnings
tests/integration/test_energy_fit_vector.py: 228 warnings
tests/integration/test_fcs_sensing.py: 252 warnings
tests/integration/test_logging.py: 128 warnings
tests/integration/test_rotational_constraint_matrix.py: 91 warnings
tests/integration/test_rotational_sum_rules.py: 30 warnings
tests/integration/test_self_consistent_phonons.py: 84 warnings
tests/integration/test_shengBTE.py: 358 warnings
tests/integration/test_structure_generation_phonon.py: 150 warnings
tests/integration/test_translational_constraint_matrix.py: 89 warnings
tests/integration/test_translational_constraint_vectors.py: 89 warnings
tests/integration/test_translational_sum_rules.py: 2335 warnings
tests/integration/test_translational_sum_rules_with_constraint_matrix.py: 103 warnings
tests/unittests/test_cluster_space.py: 2881 warnings
tests/unittests/test_cluster_space_data.py: 312 warnings
tests/unittests/test_force_constant_model.py: 2 warnings
tests/unittests/test_force_constant_potential.py: 176 warnings
tests/unittests/test_structure_container.py: 14 warnings
/Users/yang/developer/hiphive/venv/lib/python3.12/site-packages/spglib/spglib.py:115: DeprecationWarning: dict interface (SpglibDataset['rotations']) is deprecated.Use attribute interface ({self.__class__.__name__}.{key}) instead
warnings.warn(
venv/lib/python3.12/site-packages/spglib/spglib.py:115: 1 warning
tests/integration/test_compare_calculators.py: 2 warnings
tests/integration/test_crystal_structures.py: 9 warnings
tests/integration/test_eigentensor_symmetry.py: 21 warnings
tests/integration/test_energy_fit_vector.py: 2 warnings
tests/integration/test_fcs_sensing.py: 2 warnings
tests/integration/test_logging.py: 2 warnings
tests/integration/test_rotational_constraint_matrix.py: 1 warning
tests/integration/test_rotational_sum_rules.py: 1 warning
tests/integration/test_self_consistent_phonons.py: 1 warning
tests/integration/test_shengBTE.py: 2 warnings
tests/integration/test_structure_generation_phonon.py: 1 warning
tests/integration/test_translational_constraint_matrix.py: 1 warning
tests/integration/test_translational_constraint_vectors.py: 1 warning
tests/integration/test_translational_sum_rules.py: 16 warnings
tests/integration/test_translational_sum_rules_with_constraint_matrix.py: 1 warning
tests/unittests/test_cluster_space.py: 37 warnings
tests/unittests/test_cluster_space_data.py: 4 warnings
/Users/yang/developer/hiphive/venv/lib/python3.12/site-packages/spglib/spglib.py:115: DeprecationWarning: dict interface (SpglibDataset['translations']) is deprecated.Use attribute interface ({self.__class__.__name__}.{key}) instead
warnings.warn(
tests/integration/test_ase_calculator.py: 1 warning
tests/integration/test_compare_calculators.py: 1 warning
tests/integration/test_energy_fit_vector.py: 1 warning
tests/integration/test_structure_generation_phonon.py: 300 warnings
/Users/yang/developer/hiphive/hiphive/calculators/ase_calculator.py:132: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
return float(E), forces
-- Docs: https://docs.pytest.org/en/stable/how-to/capture-warnings.html
================================================== 102 passed, 13854 warnings in 106.76s (0:01:46) ==================================================Edited by Haoyu (Daniel) Yang