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WMD-group / SMACT

Python package to aid materials design and informatics
https://smact.readthedocs.io
MIT License
96 stars 22 forks source link

Bump spglib from 2.1.0 to 2.3.1 #224

Closed dependabot[bot] closed 5 months ago

dependabot[bot] commented 6 months ago

Bumps spglib from 2.1.0 to 2.3.1.

Release notes

Sourced from spglib's releases.

Spglib v2.3.1

What's Changed

🐞 Bug fixes

Other changes

Full Changelog: https://github.com/spglib/spglib/compare/v2.3.0...v2.3.1

Spglib v2.3.0

What's Changed

🎉 New Features

🐞 Bug fixes

Other changes

Full Changelog: https://github.com/spglib/spglib/compare/v2.2.0...v2.3.0

Spglib v2.2.0

What's Changed

🛠 Breaking Changes

... (truncated)

Changelog

Sourced from spglib's changelog.

v2.3.1 (10 Feb. 2024)

Fortran API

  • [#421] - Allow importing Fortran API when library/consumer compilers differ
  • [#421] - Fix building Fortran API from exported spglib_f08.F90

Fixes

  • [#423] - Update DynamicVersion to v0.4.1. Fixes CMake build when git repository does not have a tag
  • [#426] - Fix Windows installation path

CI

  • [#422] - Update to ci-build-wheel v2.16

Documentation

  • [#408] doc: Add homebrew and spack badges

v2.3.0 (27 Jan. 2024)

Features

  • Version is now calculated dynamically from commit information
    • version is the X.Y.Z version format of Spglib
    • version_full is the full version formatted like guess-next-dev from [setuptools-scm]
    • commit is the commit used when building the Spglib library

Fixes (layer group)

  • [#378] - fix(database): add missing unique axis choices
  • [#379] - fix #377 (symmetry): fix matrix pattern for layer groups

Fixes (magnetic space group)

  • [#382] - Fix comparison of translation parts in MSG type identification

CMake interface

  • Exporting Spglib_VERSION_FULL and Spglib_COMMIT CMake variables

C interface

  • Added spg_get_verison, spg_get_verison_full, spg_get_commit

Python interface

  • [#376] Dropped Python 3.7 support
  • [#386] - Drop ASE Atoms-style input

... (truncated)

Commits


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