
<!-- Release notes generated using configuration in .github/release.yml at main --> v0.3.0: Pacemaker Integration (Fitting) and FHI-aims Integration (DFT Labelling) into the RSS Workflow Pacemaker Integration Pacemaker is now integrated into the Autoplex RSS (Random Structure Searching) workflow for fitting ML interatomic potentials. (implemented by @yuxzhou) FHI-aims Integration In addition to VASP and CASTEP, the RSS workflow now supports DFT labelling with FHI-aims. (implemented by @ansobolev) What's Changed ๐ New Features Add support for FHI-aims by @ansobolev in https://github.com/autoatml/autoplex/pull/479 Feature/pacemaker implementation by @yuxzhou in https://github.com/autoatml/autoplex/pull/485 ๐ Bug Fixes Fix test_ratio = 0 case by @ansobolev in https://github.com/autoatml/autoplex/pull/478 Resolve MACE bug by @JaGeo in https://github.com/autoatml/autoplex/pull/483 ๐งน House-Keeping fix uv install command by @naik-aakash in https://github.com/autoatml/autoplex/pull/461 Add mamba cache cleanup step by @naik-aakash in https://github.com/autoatml/autoplex/pull/464 Housekeeping by @JaGeo in https://github.com/autoatml/autoplex/pull/490 Add .gitattributes to mark tests as vendored by @naik-aakash in https://github.com/autoatml/autoplex/pull/491 Merge test durations by @naik-aakash in https://github.com/autoatml/autoplex/pull/493 remove duplicate run triggers of test workflows by @naik-aakash in https://github.com/autoatml/autoplex/pull/494 include pacemaker test-durations and coverage by @naik-aakash in https://github.com/autoatml/autoplex/pull/495 ๐ Other Changes Revise changelog for v0.2.0 release by @JaGeo in https://github.com/autoatml/autoplex/pull/460 Add f90wrap dependency to pyproject.toml by @JaGeo in https://github.com/autoatml/autoplex/pull/468 Aims docs by @ansobolev in https://github.com/autoatml/autoplex/pull/487 Add downloads badge to README by @JaGeo in https://github.com/autoatml/autoplex/pull/488 A PR to request developer access by @yuxzhou in https://github.com/autoatml/autoplex/pull/489 New Contributors @ansobolev made their first contribution in https://github.com/autoatml/autoplex/pull/478 @yuxzhou made their first contribution in https://github.com/autoatml/autoplex/pull/489 Full Changelog: https://github.com/autoatml/autoplex/compare/v0.2.0...v0.3.0
