v0.2.22

What's Changed

Breaking changes

• breaking: drop python 3.7 by @wanghan-iapcm in #783
• breaking: change internal prec of quip/gap/xyz to float64 by @wanghan-iapcm in #777

New features

• Feat: set force label optional by @anyangml in #772
• add spin for lammps by @pxlxingliang in #738
• abacus: add checks on pp and orb in construction of STRU by @pxlxingliang in #737
• Add support for converting move flags between Abacus and VASP by @Angel-Jia in #744
• support spin for deepmd format by @pxlxingliang in #750
• add spin for abacus/stru by @pxlxingliang in #751

Enhancements

• Adjust pp_file as an unnessary parameter in save to abacus/stru by @pxlxingliang in #752

Bugfixes

• fix: change project.entry-points.console_scripts to project.scripts in pyproject.toml by @njzjz in #743
• abacus: fix bug in reading nspin2 results by @pxlxingliang in #758
• Fix: ignore UP031 by @wanghan-iapcm in #762
• Fix: pyright error: Type "floating[Any]" is not assignable to return type "ndarray[Unknown, Unknown]" by @wanghan-iapcm in #765
• fix: pin scipy constants to version 2018 by @wanghan-iapcm in #775
• fix: add optional force check by @anyangml in #780
• fix: 781 pymatgen structure bug by @wanghan-iapcm in #782

Documentation

• fix(rtd): pin python to <3.13 and mamba to <2 by @njzjz in #735
• docs: replace sphinx-rtd-theme with sphinx-book-theme by @njzjz-bot in #745
• fix: doc dpgen->dpdata by @wanghan-iapcm in #776
• docs: bump minimal dpdata version to 3.8 in README by @njzjz in #785

CI/CD

• ci: test against numpy v2 by @njzjz in #695
• chore(ci): use astral-sh/setup-uv action by @njzjz-bot in #734
• chore(deps): bump codecov/codecov-action from 4 to 5 by @dependabot in #755
• chore(deps): bump astral-sh/setup-uv from 3 to 4 by @dependabot in #760
• chore(deps): bump astral-sh/setup-uv from 4 to 5 by @dependabot in #767

New Contributors

• @anyangml made their first contribution in #772

Full Changelog: v0.2.21...v0.2.22