pyiron / pyiron_atomistics

pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
https://pyiron-atomistics.readthedocs.io
BSD 3-Clause "New" or "Revised" License
44 stars 15 forks source link

Bump phonopy from 2.26.6 to 2.30.0 #1599

Closed dependabot[bot] closed 1 week ago

dependabot[bot] commented 1 week ago

Bumps phonopy from 2.26.6 to 2.30.0.

Changelog

Sourced from phonopy's changelog.

Nov-9-2024: Version 2.30.0

  • The symfc package (https://github.com/symfc/symfc) was made a necessary package from this version.
  • Default force constants calculator for phonopy-load command was changed to symfc. The previous behaviour is recovered by phonopy-load --fc-calculator traditional.

Oct-25-2024: Version 2.29.1

  • Release for conda-forge packaging.

Oct-22-2024: Version 2.29.0

  • Maintenance release including minor fixes and updates.

Sep-12-2024: Version 2.28.0

  • Maintenance release including minor fixes and updates.

Aug-23-2024: Version 2.27.0

  • Update for new SpglibDataset in spglib v.2.5 (PR #413 by @​janosh, #414). Note that now Symmetry.dataset returns SpglibDataset (spglib >= v2.5) or SimpleNamespace (spglib < v2.5).

Aug-12-2024: Version 2.26.7

  • Minor updates of user interface to behave nicely.
  • Updated documentation and examples to recommend using phonopy-load instead of phonopy for the post-process calculations.
Commits
  • e6757a1 Merge branch 'develop'
  • bd79d90 Merge pull request #447 from phonopy/release
  • f8c2832 Set version 2.30.0
  • c55106b Merge pull request #446 from phonopy/phonopy-load-symfc
  • 35e0d81 Add python 3.13 in CI
  • eecb585 Symfc as default when phonopy-load
  • ec3ca0e Merge pull request #445 from phonopy/pre-commit-ci-update-config
  • 4aac706 [pre-commit.ci] pre-commit autoupdate
  • ebd51cf Merge pull request #443 from phonopy/pre-commit-ci-update-config
  • c6c10f7 [pre-commit.ci] pre-commit autoupdate
  • Additional commits viewable in compare view


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coveralls commented 1 week ago

Pull Request Test Coverage Report for Build 11775098114

Details


Totals Coverage Status
Change from base Build 11742907402: 0.0%
Covered Lines: 10777
Relevant Lines: 15201

💛 - Coveralls
dependabot[bot] commented 1 week ago

Superseded by #1602.