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Bump pymatgen from 2024.7.18 to 2024.9.17.1 #1154

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@dependabot dependabot bot commented on behalf of github Sep 23, 2024

Bumps pymatgen from 2024.7.18 to 2024.9.17.1.

Release notes

Sourced from pymatgen's releases.

v2024.9.17.1

  • Emergency release No. 2 to fix yet another regression in chempot diagram. (Thanks @​yang-ruoxi for fixing.)

v2024.9.17

  • Emergency release to fix broken phase diagram plotting due to completely unnecessary refactoring. (Thanks @​yang-ruoxi for fixing.)

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

... (truncated)

Changelog

Sourced from pymatgen's changelog.

v2024.9.17.1

  • Emergency release No. 2 to fix yet another regression in chempot diagram. (Thanks @​yang-ruoxi for fixing.)

v2024.9.17

  • Emergency release to fix broken phase diagram plotting due to completely unnecessary refactoring. (Thanks @​yang-ruoxi for fixing.)

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

... (truncated)

Commits

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Bumps [pymatgen](https://github.com/materialsproject/pymatgen) from 2024.7.18 to 2024.9.17.1.
- [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...v2024.9.17.1)

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

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot added the dependencies Pull requests that update a dependency file label Sep 23, 2024
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Binder 👈 Launch a binder notebook on branch pyiron/pyiron_contrib/dependabot/pip/pymatgen-2024.9.17.1

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codacy-production bot commented Sep 23, 2024

Coverage summary from Codacy

See diff coverage on Codacy

Coverage variation Diff coverage
+0.00% (target: -1.00%)
Coverage variation details
Coverable lines Covered lines Coverage
Common ancestor commit (53907ad) 10175 1280 12.58%
Head commit (99683d9) 10175 (+0) 1280 (+0) 12.58% (+0.00%)

Coverage variation is the difference between the coverage for the head and common ancestor commits of the pull request branch: <coverage of head commit> - <coverage of common ancestor commit>

Diff coverage details
Coverable lines Covered lines Diff coverage
Pull request (#1154) 0 0 ∅ (not applicable)

Diff coverage is the percentage of lines that are covered by tests out of the coverable lines that the pull request added or modified: <covered lines added or modified>/<coverable lines added or modified> * 100%

See your quality gate settings    Change summary preferences

Codacy stopped sending the deprecated coverage status on June 5th, 2024. Learn more

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coveralls commented Sep 23, 2024

Pull Request Test Coverage Report for Build 10993550220

Details

  • 0 of 0 changed or added relevant lines in 0 files are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage remained the same at 12.58%

Totals Coverage Status
Change from base Build 10780714932: 0.0%
Covered Lines: 1280
Relevant Lines: 10175

💛 - Coveralls

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