Releases: singularitti/Spglib.jl
v1.2.0
Spglib v1.2.0
Merged pull requests:
- Redefine
SpglibReturnCodetype (#204) (@singularitti) - POTENTIALLY BREAKING: Relax
compatconstraint onspglib_jllback to v2.2+ (#205) (@singularitti)
v1.1.0
Spglib v1.1.0
Merged pull requests:
- Bump actions/checkout from 5 to 6 (#202) (@dependabot[bot])
- Remove StructEquality.jl, Replace it with StructEqualHash.jl (#203) (@singularitti)
- Restrict
compatforspglib_jll.jlto2.2 - 2.5
v1.0.1
Spglib v1.0.1
Merged pull requests:
- Add size checks for
magmomsinSpglibCell(#200) (@singularitti) - Fix the constructor of
SpglibCell(#201) (@singularitti)
v1.0.0
Breaking changes: Upgrading from v0.9+ to v1.0+
Spglib.jl relies on a JLL package wrapper (spglib_jll.jl).
- Up to v0.9,
Spglib.jlusedspglib_jll.jlv2.1.0. - Starting with v1.0, it uses
spglib_jll.jlv2.2+.
Between v2.1 and v2.2, spglib introduced some changes (see the official release notes).
As a result, code that worked with Spglib.jl v0.9+ may behave differently when upgraded to v1.0+.
The API itself has not changed, but some returned values may differ.
Please be aware of these differences. If you have already updated your code but still observe results that differ between the Julia API and the C/Python APIs, let me know so I can investigate.
Non-breaking changes
Add function is_spin_collinear
Full Changelog
v0.9.7
Spglib v0.9.7
Merged pull requests:
- Fix docs (#198) (@singularitti)
Closed issues:
- New version: 0.9.6 (#197)
What's Changed
- Fix docs by @singularitti in #198
Full Changelog: v0.9.6...v0.9.7
v0.9.6
Spglib v0.9.6
What's Changed
- Bump actions/checkout from 4 to 5 by @dependabot[bot] in #196
Full Changelog: v0.9.5...v0.9.6
v0.9.5
What's Changed
- Bump codecov/codecov-action from 3 to 4 by @dependabot[bot] in #188
- Bump julia-actions/setup-julia from 1 to 2 by @dependabot[bot] in #190
- Bump julia-actions/cache from 1 to 2 by @dependabot[bot] in #191
- Bump codecov/codecov-action from 4 to 5 by @dependabot[bot] in #193
- Update default constructor of
SpglibCellin src/core.jl by @singularitti in #195
Full Changelog: v0.9.4...v0.9.5
v0.9.4
Spglib v0.9.4
Merged pull requests:
- Resolve memory unsafety in unpacking C enum (#184) (@kbarros)
- Add tests to
get_error_code(#185) (@singularitti) - Restrict spglib_jll.jl to up to 2.1.0 (#186) (@singularitti)
Closed issues:
v0.9.3
Spglib v0.9.3
Merged pull requests:
- Switch
SpglibReturnCodefromEnumto sum types (#179) (@singularitti) - CompatHelper: add new compat entry for SumTypes at version 0.5, (keep existing compat) (#180) (@github-actions[bot])
v0.9.2
Spglib v0.9.2
Merged pull requests:
- Fix wyckoffs in dataset (#177) (@singularitti)
Closed issues:
- BoundsError on get_dataset (#176)