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AI-multimodal / Lightshow

A one-stop-shop for handling data in computational spectroscopy
https://ai-multimodal.github.io/Lightshow/
BSD 3-Clause "New" or "Revised" License
12 stars 9 forks source link

Bump pymatgen from 2024.2.23 to 2024.3.1 #251

Closed dependabot[bot] closed 5 months ago

dependabot[bot] commented 6 months ago

Bumps pymatgen from 2024.2.23 to 2024.3.1.

Release notes

Sourced from pymatgen's releases.

v2024.3.1

What's Changed

🐛 Bug Fixes

🛠 Enhancements

📖 Documentation

🧹 House-Keeping

🧪 Tests

🏷️ Type Hints

🤷‍♂️ Other Changes

New Contributors

Full Changelog: https://github.com/materialsproject/pymatgen/compare/v2024.2.23...v2024.3.1

Changelog

Sourced from pymatgen's changelog.

v2024.3.1

What's Changed

🐛 Bug Fixes

🛠 Enhancements

📖 Documentation

🧹 House-Keeping

🧪 Tests

🏷️ Type Hints

🤷‍♂️ Other Changes

New Contributors

Full Changelog: https://github.com/materialsproject/pymatgen/compare/v2024.2.23...v2024.3.1

Commits
  • 442d740 v2024.3.1
  • 83806df Avoid bader_caller from altering compressed file in place (#3660)
  • d07164f Fix RuntimeError triggered in CI of downstream packages (#3664)
  • 8fd181b Remove BadPoscarWarning when POSCAR elements set by POTCAR (#3662)
  • 512813d Fix installation.md formatting (#3661)
  • 54f2dd2 Update reqs.
  • d871fdf use np.eye(3) instead of [[1, 0, 0], [0, 1, 0], [0, 0, 1]] for identity matri...
  • 3f07cc4 [WIP] Fixed get_niggli_reduced_lattice (#3657)
  • 4179377 Remove rounding during FEFF writing (#3345)
  • d490eff Deprecate _parse_atomic_densities in BaderAnalysis and fix Bader test s...
  • Additional commits viewable in compare view


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codecov-commenter commented 6 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 47.23%. Comparing base (957dfa4) to head (5605331).

:exclamation: Your organization needs to install the Codecov GitHub app to enable full functionality.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #251 +/- ## ======================================= Coverage 47.23% 47.23% ======================================= Files 15 15 Lines 1268 1268 ======================================= Hits 599 599 Misses 669 669 ```

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matthewcarbone commented 5 months ago

@dependabot rebase