v1.0.1

What's Changed

✨ Features

• feat: index systems in MultiSystems by short names by @njzjz in #929
• Feat: the LMDB file format by @wanghan-iapcm in #928
• feat: support natom padding in deepmd/npy/mixed format by @wanghan-iapcm in #932
• feat: add agent skill for dpdata CLI usage by @njzjz-bot in #938

🐛 Bug Fixes

• fix(cp2k): extract scalar from numpy array for math.isclose() comparison by @Copilot in #924

🔧 Maintenance & Chores

• marge master to devel (v1.0.0) by @njzjz in #910
• Revert "CI: pin numpy to <2.3 & rdkit to <2025.3.3" by @njzjz in #921
• chore: update branch references from devel to master by @njzjz-bot in #937
• chore(pre-commit): use mdformat to format Markdown by @njzjz-bot in #941

🤖 CI/CD & Dependencies

• ci: use OIDC for codecov-action by @njzjz-bot in #926
• chore(deps): bump actions/checkout from 5 to 6 by @dependabot[bot] in #916
• chore(deps): bump jakebailey/pyright-action from 2 to 3 by @dependabot[bot] in #936
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci[bot] in:
  • #911
  • #913
  • #914
  • #915
  • #917
  • #918
  • #919
  • #920
  • #923
  • #925
  • #927
  • #930
  • #935
  • #939

Full Changelog: v1.0.0...v1.0.1