Skip to content

Bump pymatgen from 2024.6.10 to 2024.9.10#979

Closed
dependabot[bot] wants to merge 1 commit intomainfrom
dependabot/pip/pymatgen-2024.9.10
Closed

Bump pymatgen from 2024.6.10 to 2024.9.10#979
dependabot[bot] wants to merge 1 commit intomainfrom
dependabot/pip/pymatgen-2024.9.10

Conversation

@dependabot
Copy link
Contributor

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

Bumps pymatgen from 2024.6.10 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

Dependabot compatibility score

Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting @dependabot rebase.


Dependabot commands and options

You can trigger Dependabot actions by commenting on this PR:

  • @dependabot rebase will rebase this PR
  • @dependabot recreate will recreate this PR, overwriting any edits that have been made to it
  • @dependabot merge will merge this PR after your CI passes on it
  • @dependabot squash and merge will squash and merge this PR after your CI passes on it
  • @dependabot cancel merge will cancel a previously requested merge and block automerging
  • @dependabot reopen will reopen this PR if it is closed
  • @dependabot close will close this PR and stop Dependabot recreating it. You can achieve the same result by closing it manually
  • @dependabot show <dependency name> ignore conditions will show all of the ignore conditions of the specified dependency
  • @dependabot ignore this major version will close this PR and stop Dependabot creating any more for this major version (unless you reopen the PR or upgrade to it yourself)
  • @dependabot ignore this minor version will close this PR and stop Dependabot creating any more for this minor version (unless you reopen the PR or upgrade to it yourself)
  • @dependabot ignore this dependency will close this PR and stop Dependabot creating any more for this dependency (unless you reopen the PR or upgrade to it yourself)

@dependabot dependabot bot added the dependencies Pull requests that update a dependency file label Sep 16, 2024
@dependabot dependabot bot force-pushed the dependabot/pip/pymatgen-2024.9.10 branch 2 times, most recently from 9e10211 to 1a1e9c8 Compare September 16, 2024 09:34
@dependabot dependabot bot force-pushed the dependabot/pip/pymatgen-2024.9.10 branch from 1a1e9c8 to 46418a3 Compare September 16, 2024 09:35
@dependabot @github
Copy link
Contributor Author

dependabot bot commented on behalf of github Sep 23, 2024

Superseded by #989.

@dependabot dependabot bot closed this Sep 23, 2024
@dependabot dependabot bot deleted the dependabot/pip/pymatgen-2024.9.10 branch September 23, 2024 07:34
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

dependencies Pull requests that update a dependency file

Projects

None yet

Development

Successfully merging this pull request may close these issues.

0 participants