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Bump pymatgen from 2024.7.18 to 2024.9.10 #53

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@dependabot dependabot bot commented on behalf of github Sep 13, 2024

Bumps pymatgen from 2024.7.18 to 2024.9.10.

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

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dependabot bot commented on behalf of github Sep 13, 2024

The following labels could not be found: dependency_updates.

@davidwaroquiers
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@dependabot rebase

Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2024.7.18 to 2024.9.10.
- [Release notes](https://github.com/materialsproject/pymatgen/releases)
- [Changelog](https://github.com/materialsproject/pymatgen/blob/master/docs/CHANGES.md)
- [Commits](materialsproject/pymatgen@v2024.7.18...v2024.9.10)

---
updated-dependencies:
- dependency-name: pymatgen
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <[email protected]>
@dependabot dependabot bot force-pushed the c815dependabot/pip/main/pymatgen-2024.9.10 branch from 1ad9bfc to 2b90005 Compare September 13, 2024 08:45
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dependabot bot commented on behalf of github Sep 17, 2024

Superseded by #55.

@dependabot dependabot bot closed this Sep 17, 2024
@dependabot dependabot bot deleted the c815dependabot/pip/main/pymatgen-2024.9.10 branch September 17, 2024 03:38
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