search

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
13 stars 9 forks source link

Bump pymatgen from 2023.11.12 to 2024.1.27 #236

Closed dependabot[bot] closed 9 months ago

dependabot[bot] commented 9 months ago

Bumps pymatgen from 2023.11.12 to 2024.1.27.

Release notes

Sourced from pymatgen's releases.

v2024.1.27

Full Changelog: https://github.com/materialsproject/pymatgen/compare/v2024.1.26...v2024.1.27

v2024.1.26

What's Changed

🐛 Bug Fixes

🛠 Enhancements

🧹 House-Keeping

🧪 Tests

💥 Breaking Changes

🤷‍♂️ Other Changes

... (truncated)

Changelog

Sourced from pymatgen's changelog.

layout: default title: Change Log nav_order: 4

Changelog

v2024.1.26

🐛 Bug Fixes

🛠 Enhancements

🧹 House-Keeping

... (truncated)

Commits
  • ac8a7e9 Update docs
  • 5137111 Fix monty version.
  • 575f404 v2024.1.26
  • e9cc87a remove unneeded unittest tearDown methods
  • 9a0eb81 Breaking: remove single-use PolarizationLattice which inherited from `Struc...
  • f345f2f test nested square bracket in formula strings
  • 9604d75 Allow square brackets in composition. Fixes #3583.
  • c0c40dd fix variable clash "dist" in zero_d_graph_to_molecule_graph() introduced in 7...
  • cb2f490 Added threshold_ordering parameter to CollinearMagneticStructureAnalyzer in a...
  • 0b8be98 Support parsing of "final_energy" in Q-Chem 6.1.1 (#3580)
  • 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 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)
codecov-commenter commented 9 months ago

Codecov Report

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

Comparison is base (f9241c6) 67.87% compared to head (f281bff) 48.09%.

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

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #236 +/- ## =========================================== - Coverage 67.87% 48.09% -19.79% =========================================== Files 14 14 Lines 1183 1183 =========================================== - Hits 803 569 -234 - Misses 380 614 +234 ```

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.

dependabot[bot] commented 9 months ago

Superseded by #240.