search

fermisurfaces / IFermi

Fermi surface generation, analysis and visualisation.
https://fermisurfaces.github.io/IFermi/
MIT License
88 stars 35 forks source link

Bump spglib from 2.3.1 to 2.5.0 #428

Closed dependabot[bot] closed 3 months ago

dependabot[bot] commented 4 months ago

Bumps spglib from 2.3.1 to 2.5.0.

Release notes

Sourced from spglib's releases.

Spglib v2.5.0

What's Changed

🐞 Bug fixes

Other changes

New Contributors

Full Changelog: https://github.com/spglib/spglib/compare/v2.4.0...v2.5.0

Spglib v2.4.0

What's Changed

🎉 New Features

🐞 Bug fixes

Other changes

... (truncated)

Changelog

Sourced from spglib's changelog.

v2.5.0 (9 Jul. 2024)

Main changes

Minimum supported python distribution is now 3.9. Numpy dependency now reflect the ABI compatibility of the wheels.

We now provide proper class types with type-hints (using dataclasses.dataclass) for the output data structure. See the Python API section for details for the list of new classes and affected functions.

For backward compatibility, the dict-like interface is still available, but it is planned to be removed:

spgtype: SpaceGroupType | None = get_spacegroup_type(cell)
assert spgtype is not None
print(spgtype['number'])
print(list(spgtype.items()))

However, we recommend using the dataclass interface:

spgtype: SpaceGroupType | None = get_spacegroup_type(cell)
assert spgtype is not None
print(spgtype.number)

If you really need dictionary, ...


from dataclasses import asdict
print(asdict(spgtype))

Fixes (magnetic space group)

  • [#479] Fix to check internal primitive symmetry search to avoid SEGV

Python API

  • Raised minimum python requirements to 3.9
  • Added classes: SpaceGroupType, MagneticSpaceGroupType, SpglibDataset, and SpglibMagneticDataset
  • Added function: get_magnetic_spacegroup_type_from_symmetry
  • Changed functions: get_spacegroup_type, get_spacegroup_type_from_symmetry, get_magnetic_spacegroup_type, and get_magnetic_spacegroup_type_from_symmetry now return the equivalent SpaceGroupType or MagneticSpaceGroupType object
  • Changed functions: get_symmetry_dataset now returns the equivalent SpglibDataset object
  • Changed functions: get_magnetic_symmetry_dataset now returns the equivalent SpglibMagneticDataset object

C Interface

  • Fix a potential segmentation fault in spacegroup.c:iterative_search_hall_number

v2.4.0 (11 Apr. 2024)

... (truncated)

Commits


Dependabot compatibility score

Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting @dependabot rebase.

Dependabot commands and options
You can trigger Dependabot actions by commenting on this PR: - `@dependabot rebase` will rebase this PR - `@dependabot recreate` will recreate this PR, overwriting any edits that have been made to it - `@dependabot merge` will merge this PR after your CI passes on it - `@dependabot squash and merge` will squash and merge this PR after your CI passes on it - `@dependabot cancel merge` will cancel a previously requested merge and block automerging - `@dependabot reopen` will reopen this PR if it is closed - `@dependabot close` will close this PR and stop Dependabot recreating it. You can achieve the same result by closing it manually - `@dependabot show ignore conditions` will show all of the ignore conditions of the specified dependency - `@dependabot ignore this major version` will close this PR and stop Dependabot creating any more for this major version (unless you reopen the PR or upgrade to it yourself) - `@dependabot ignore this minor version` will close this PR and stop Dependabot creating any more for this minor version (unless you reopen the PR or upgrade to it yourself) - `@dependabot ignore this dependency` will close this PR and stop Dependabot creating any more for this dependency (unless you reopen the PR or upgrade to it yourself)
utf commented 3 months ago

@dependabot rebase

dependabot[bot] commented 3 months ago

Looks like this PR is already up-to-date with main! If you'd still like to recreate it from scratch, overwriting any edits, you can request @dependabot recreate.

dependabot[bot] commented 3 months ago

Looks like spglib is up-to-date now, so this is no longer needed.