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python-emmet-core (0.84.2-2) unstable; urgency=medium
* python3-emmet-core Depends: python3-openmm
-- Drew Parsons <dparsons@debian.org> Mon, 17 Feb 2025 10:33:39 +0100
python-emmet-core (0.84.2-1) unstable; urgency=medium
* New upstream release
- [Build-]Depends: python3-custodian
- deprecates debian patches import_qchem_calc_types.patch,
no_README.patch
- update versioned Depends: python3-mdanalysis (>= 2.7.0~),
python3-monty (>= 2024.2.2~)
* update debian/test_files from upstream emmet v0.84.2
* Build-Depends: python3-openmm (undeclared in setup.py!)
* add test_defects.py to debian patch skip_tests.patch (requires
pymatgen-analysis-defects, which is not yet packaged for Debian)
* debian patch fix_floating_point_comparison_PR1167.patch adapts
upstream PR#1167 to fix floating point comparisons in tests
* run tests over all supported Python versions
- add molecule test_bonds.py and test_redox.py to skip_tests.patch
(openbabel is only available on the default Python version)
* drop debian patch skip_test_pymatgen_file_version_mismatch.patch.
Keep packages up to date.
-- Drew Parsons <dparsons@debian.org> Sat, 15 Feb 2025 19:05:39 +0100
python-emmet-core (0.76.2-1) unstable; urgency=medium
* New upstream release. Closes: #1076644, #1077430.
- update Build-Depends:
python3-pymatgen (>= 2023.10.11~),
python3-monty (>= 2023.9.25~),
python3-pydantic (>= 2.0~),
python3-pydantic-settings (>= 2.0~),
python3-pybtex (>= 0.24~)
* debian patch no_README.patch prevents trying to build with a
README file which is not there.
* update debian patches skip_tests.patch
- skip test_ml.py since matcalc is not available
- test_settings.py skip test_seriallization
"'MPRelaxSet' has no attribute 'config_dict'"
- test_electronic_structure.py: skip test_from_bsdos_2 since
Seek-Path is not available
* debian patch skip_test_pymatgen_file_version_mismatch.patch skips
tests requiring files no longer provided by current pymatgen
* Standards-Version: 4.7.0
-- Drew Parsons <dparsons@debian.org> Sun, 04 Aug 2024 14:52:04 +0200
python-emmet-core (0.57.1-3) unstable; urgency=medium
* Build-Depends: pybuild-plugin-pyproject. Closes: #1058225.
* skip test_task_doc (in test_task.py). Test syntax needs updating.
* don't ignore test errors (set -e)
* run tests on default python only, since spglib (required by
pymatgen) is only available on default python (Bug#1061263)
* debian patch import_qchem_calc_types.patch updates
emmet.core.qchem.calc_types to importlib.invalidate_caches()
after dynamic enums generation. Closes: #1033689.
-- Drew Parsons <dparsons@debian.org> Mon, 22 Jan 2024 13:53:44 +0100
python-emmet-core (0.57.1-2) unstable; urgency=medium
* python3-emmet-core Depends: python3-openbabel
(remove dependency from debian/tests)
cf. upstream Issue#812.
-- Drew Parsons <dparsons@debian.org> Sun, 20 Aug 2023 12:04:46 +0200
python-emmet-core (0.57.1-1) unstable; urgency=medium
* New upstream release.
- update versioned Build-Depends: python3-pymatgen (>= 2023.5.8~)
* update debian/test_files from upstream emmet v0.57.1
* debian/tests: use absolute path for PMG_TEST_FILES_DIR or else
relative path is used twice, causing "file not found" errors
in vasp tests run by test_task.py
-- Drew Parsons <dparsons@debian.org> Fri, 23 Jun 2023 17:08:44 +0200
python-emmet-core (0.44.0-3) unstable; urgency=medium
* update latest emmet.core for debian stable release
-- Drew Parsons <dparsons@debian.org> Thu, 23 Feb 2023 10:49:13 +0100
python-emmet-core (0.44.0-2) experimental; urgency=medium
* debian/tests: specify internet test with tests/test_settings.py
-- Drew Parsons <dparsons@debian.org> Wed, 22 Feb 2023 11:35:07 +0100
python-emmet-core (0.44.0-1) experimental; urgency=medium
* New upstream release.
- drop deprecated debian patch setup_version.patch
* use tests dir to run build-time and run-time tests
- use test_files from https://github.com/materialsproject/emmet,
copied to debian/test_files
* debian patch skip_tests.patch skips tests using maggma, optimade
pymatgen-analysis-diffusion or custodian, which are not packaged.
* debian patch test_files_dir.patch uses PMG_TEST_FILES_DIR to set
location of test_files
* debian patch backup_version.patch sets __version__="unknown" if
installation not detected (e.g. for use during build-time tests)
* (Build-)Depends: python3-bson, python3-openbabel for tests
* skip test_from_url test_seriallization at build-time and standard
runtime tests since they require internet. Run separate run-time
test with needs-internet.
-- Drew Parsons <dparsons@debian.org> Tue, 21 Feb 2023 19:57:07 +0100
python-emmet-core (0.36.9-2) unstable; urgency=medium
* debian/test: run superficial test from tmp dir
else local source interferes with importing the module
-- Drew Parsons <dparsons@debian.org> Mon, 06 Feb 2023 16:47:38 +0100
python-emmet-core (0.36.9-1) unstable; urgency=medium
* Initial release. (Closes: #1030520)
* debian patch setup_version.patch helps setup find _version.py
* debian/tests provides superficial test (import emmet.core)
-- Drew Parsons <dparsons@debian.org> Sat, 04 Feb 2023 16:18:51 +0100
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