0.4.0

This release includes compatibility with OpenFF Toolkit version 0.11.0 and newer.

See our installation instructions to get started and the change log for a summary of changes included in this release. Auto-generated release notes are included below.

Please note that this is a pre-alpha release and there will still be major changes to the API prior to a stable 1.0.0 release.

What's Changed

• OpenFF theme for docs by @Yoshanuikabundi in #446
• Fix arguments in DaskLocalCluster by @darelbeida in #448
• Bump actions/setup-python from 3.1.2 to 4.0.0 by @dependabot in #449
• Bump actions/setup-python from 4.0.0 to 4.1.0 by @dependabot in #455
• Compatibility with OpenFF Toolkit v0.11.0 by @mattwthompson in #413
• Update internals to use main branch by @mattwthompson in #460
• Organise environments by @Yoshanuikabundi in #459
• Update for pymbar >=4 by @mattwthompson in #461
• Support AMD GPUs (Port #426 to 0.4 line) by @mattwthompson in #465
• Small fix in comments by @jaketanderson in #468
• Update test environments by @mattwthompson in #467
• Fix None pressure failing unit conversion by @mattwthompson in #463
• Finalize 0.4.0 release notes by @mattwthompson in #471

New Contributors

• @Yoshanuikabundi made their first contribution in #446
• @darelbeida made their first contribution in #448

Full Changelog: v0.3.11...v0.4.0