This is a patch release of OpenFE which brings a few QOL improvements, including validation scripts
and test adjustments to work with the latest release of Lomap.
API stability: No known changes or deprecations to the API compared to v1.0
Supported Python versions: 3.9+
Supported OpenMM versions: 8.0, and 8.1.1
Supported OpenFF toolkit versions: >=0.13 (0.15.x is recommended)
Changelog for humans: https://docs.openfree.energy/en/stable/CHANGELOG.html#v1-0-1
What's Changed
- fix installer by @mikemhenry in #838
- pin macos runners to macos-12 by @mikemhenry in #841
- Save the Rainforest by @mikemhenry in #839
- debug script for people to test openmm by @mikemhenry in #733
- Add GAFF test (and GAFF skips) to CI by @mikemhenry in #847
- add osx-arm64 py312 test by @mikemhenry in #853
- Test with main on Lomap dev branch by @IAlibay in #855
- Updated CHANGELOG for 1.0.1 by @mikemhenry in #860
Full Commit Changelog: v1.0.0...v1.0.1
Contributors
mikemhenry and IAlibay