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Update pymatgen requirement from !=2019.9.7,<2024.7.19,>=2019.7.2 to >=2019.7.2,!=2019.9.7,<2024.9.11 #576

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@dependabot dependabot bot commented on behalf of github Sep 16, 2024

Updates the requirements on pymatgen to permit the latest version.

Release notes

Sourced from pymatgen's releases.

v2024.9.10

💥 Breaking: NumPy/Cython integer type changed from np.long/np.int_ to int64 on Windows to align with NumPy 2.x, changing the default integer type to int64 on Windows 64-bit systems in favor of the platform-dependent np.int_ type. Recommendation: Please explicitly declare dtype=np.int64 when initializing a NumPy array if it's passed to a Cythonized pymatgen function like find_points_in_spheres. You may also want to test downstream packages with NumPy 1.x on Windows in CI pipelines.

🛠 Enhancements

🐛 Bug Fixes

💥 Breaking Changes

📖 Documentation

🧹 House-Keeping

🚀 Performance

🚧 CI

💡 Refactoring

... (truncated)

Changelog

Sourced from pymatgen's changelog.

v2024.9.10

💥 Breaking: NumPy/Cython integer type changed from np.long/np.int_ to int64 on Windows to align with NumPy 2.x, changing the default integer type to int64 on Windows 64-bit systems in favor of the platform-dependent np.int_ type. Recommendation: Please explicitly declare dtype=np.int64 when initializing a NumPy array if it's passed to a Cythonized pymatgen function like find_points_in_spheres. You may also want to test downstream packages with NumPy 1.x on Windows in CI pipelines.

🛠 Enhancements

🐛 Bug Fixes

💥 Breaking Changes

📖 Documentation

🧹 House-Keeping

🚀 Performance

🚧 CI

💡 Refactoring

... (truncated)

Commits
  • 1ff1ba5 Use distinct names for artifacts (#4059)
  • 48e7c98 fix cibuildwheel: No build identifiers selected: BuildSelector(build_config='...
  • c469dd8 update docs/CHANGES.md with notes for v2024.9.10 and v2024.8.9
  • 6012a68 v2024.9.10
  • ed4de1d Fix apply_operation(fractional=True) (#4057)
  • dc6a292 Fix typo in Cp2kOutput.parse_hirshfeld `add_site_property("hirshf[i->'']eld...
  • f6b4073 Fix ruff PLC0206 and PLR6104 (#4035)
  • 13182c5 Avoid importing namespace package pymatgen directly (#4053)
  • 326beb9 Make AimsSpeciesFile a dataclass (#4054)
  • 149e115 fix typos in AimsSpeciesFile and AimsOutCalcChunk
  • Additional commits viewable in compare view

Most Recent Ignore Conditions Applied to This Pull Request
Dependency Name Ignore Conditions
pymatgen [>= 2022.a, < 2023]

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Updates the requirements on [pymatgen](https://github.com/materialsproject/pymatgen) to permit the latest version.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md)
- [Commits](materialsproject/pymatgen@v2019.7.2...v2024.9.10)

---
updated-dependencies:
- dependency-name: pymatgen
  dependency-type: direct:production
...

Signed-off-by: dependabot[bot] <[email protected]>
@dependabot dependabot bot added the dependencies Pull requests that update a dependency file label Sep 16, 2024
@CasperWA CasperWA enabled auto-merge (squash) September 16, 2024 05:19
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dependabot bot commented on behalf of github Sep 23, 2024

Superseded by #577.

@dependabot dependabot bot closed this Sep 23, 2024
auto-merge was automatically disabled September 23, 2024 05:18

Pull request was closed

@dependabot dependabot bot deleted the dependabot/pip/ci/dependabot-updates/pymatgen-gte-2019.7.2-and-neq-2019.9.7-and-lt-2024.9.11 branch September 23, 2024 05:18
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