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
