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@dependabot dependabot bot commented on behalf of github Sep 1, 2025

Bumps calorine from 3.1 to 3.2.

Release notes

Sourced from calorine's releases.

3.2

  • added functionality for handling NEP restart files for fine-tuning applications !197
  • updated build scheme !184 !185 !186
  • improvements and fixes to the documentation !182 !187 !189 !190 !194 !200
  • added tutorial on predicting inelastic neutron spectra !188 !192
  • bug fixes !191
  • updates to tests !195
  • added scheduled tests for GPUMD builds !196 !199
  • added support functions to ase-phonopy conversion !193
Commits
  • c15b2d1 Merge branch 'release-3.2' into 'master'
  • 475eb08 Bumped version to 3.2
  • 1e65f4e Merge branch '114-add-functionality-for-manipulating-nep-restart-files' into ...
  • 23b72b3 Added functionality for manipulating NEP restart files
  • 7396a64 Merge branch 'fix-relax-structure-docs' into 'master'
  • 5801d74 Remove misplaced link
  • d7be823 Merge branch 'fix-scheduled-ci' into 'master'
  • 296a30c allow scheduled jobs to fail when triggered manually as to not have them be b...
  • 72c5d4e Merge branch 'nightly-rebuild-of-gpumd' into 'master'
  • edee9e2 Add weekly GPUMD rebuild and test
  • Additional commits viewable in compare view

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Note
Automatic rebases have been disabled on this pull request as it has been open for over 30 days.

Bumps [calorine](https://gitlab.com/materials-modeling/calorine) from 3.1 to 3.2.
- [Release notes](https://gitlab.com/materials-modeling/calorine/tags)
- [Commits](https://gitlab.com/materials-modeling/calorine/compare/3.1...3.2)

---
updated-dependencies:
- dependency-name: calorine
  dependency-version: '3.2'
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <[email protected]>
@dependabot dependabot bot added dependencies Pull requests that update a dependency file python Pull requests that update python code labels Sep 1, 2025
@esoteric-ephemera esoteric-ephemera enabled auto-merge (squash) October 14, 2025 16:56
@esoteric-ephemera esoteric-ephemera merged commit 24d56ad into main Oct 14, 2025
21 checks passed
@esoteric-ephemera esoteric-ephemera deleted the dependabot/pip/calorine-3.2 branch October 14, 2025 17:08
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