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Bump calorine from 3.0 to 3.1 #1231

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Merged
merged 1 commit into from
Jun 23, 2025
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@dependabot dependabot bot commented on behalf of github Jun 23, 2025

Bumps calorine from 3.0 to 3.1.

Release notes

Sourced from calorine's releases.

3.1

This release contains a couple of new features and small fixes

  • added get_descriptor to CPUNEP !175
  • added read_msd function !176
  • added convenience functions for retrieving symmetry information via spglib !181
  • extended functionality of read_thermodynamic_data function !173
  • migrated to pyproject.toml and fixed PyPI upload !178 !184 !185
  • bumped version of NEP_CPU !180
  • handled phonopy as an optional dependency !179
  • fixed typo in tutorial !174
Commits
  • 7c32508 Merge branch 'set-up-twine-with-token' into 'master'
  • 50d061e Switch back to source distribution
  • 3f9685d Merge branch 'set-up-twine-with-token' into 'master'
  • b86bb54 Set up publishing to PyPI via token
  • b5dd34e Merge branch 'release-3.1' into 'master'
  • 51e12d3 Release 3.1
  • 5826370 Merge branch 'convenience-interface-to-spglib-functions' into 'master'
  • 561c7ae Improvements to convenience functions
  • 0eeb6f9 Merge branch 'bump_nep_cpu' into 'master'
  • 0455969 Merge branch '109-importing-something-requires-phonopy' into 'master'
  • Additional commits viewable in compare view

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Bumps [calorine](https://gitlab.com/materials-modeling/calorine) from 3.0 to 3.1.
- [Release notes](https://gitlab.com/materials-modeling/calorine/tags)
- [Commits](https://gitlab.com/materials-modeling/calorine/compare/3.0...3.1)

---
updated-dependencies:
- dependency-name: calorine
  dependency-version: '3.1'
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot added dependencies Pull requests that update a dependency file python Pull requests that update python code labels Jun 23, 2025
@github-actions github-actions bot merged commit 3030a7d into main Jun 23, 2025
21 checks passed
@github-actions github-actions bot deleted the dependabot/pip/calorine-3.1 branch June 23, 2025 13:00
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