0.2.2 Compatibility with Pint 0.23 and Python 3.12

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #70
• Bump actions/checkout from 3 to 4 by @dependabot in #71
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #72
• Update versioneer by @Yoshanuikabundi in #73
• Test on Python 3.12 by @mattwthompson in #74
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #75
• Add NUMBERS by @mattwthompson in #76
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #78
• Update testing infrastructure by @mattwthompson in #79
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #80
• Bump codecov/codecov-action from 3 to 4 by @dependabot in #81
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #82
• Test with Pint 0.23, add downstream testing by @mattwthompson in #83

Full Changelog: 0.2.1...0.2.2

0.2.1 Compatibility with Pint 0.22

What's Changed

• Add py.typed file by @mattwthompson in #56
• Document ensure_quantity by @mattwthompson in #58
• Bring installation guide in line with ecosystem docs by @Yoshanuikabundi in #61
• Switch to setup-micromamba by @mattwthompson in #66
• Test on multiple Pint versions by @mattwthompson in #67

Full Changelog: 0.2.0...0.2.1

0.2.0 Compatibility with Pint 0.20

What's Changed

• Coerce non-Quantity into dimensionless Quantity by @mattwthompson in #46
• Re-export ensure_quantity at top level by @mattwthompson in #47
• fix typo in readme opennff -> openff by @mikemhenry in #48
• Pin Pint to 0.19 by @mattwthompson in #53
• Install OpenMM in CI with micromamba by @mattwthompson in #52
• Update for Pint 0.20.0 by @mattwthompson in #51

New Contributors

• @mikemhenry made their first contribution in #48

Full Changelog: 0.1.8...0.2.0

0.1.8 QoL improvements for IDEs

What's Changed

• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #42
• Switch to micromamba in CI by @mattwthompson in #43
• QoL improvements for IDEs and LSPs by @Yoshanuikabundi in #41
• Add ensure_quantity helper function by @mattwthompson in #44

Full Changelog: 0.1.7...0.1.8

0.1.7 Removal of SimTK namespace support

What's Changed

• Drop Python 3.7 in tests and pin Pint to 0.19.0+ by @mattwthompson in #31
• Add documentation by @Yoshanuikabundi in #28
• Have to_openmm convert to base units if conversion would otherwise fail by @Yoshanuikabundi in #32
• Add Quantity.to_openmm by @mattwthompson in #34
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #36
• Don't allow OpenMM conversions with None by @mattwthompson in #39
• Remove simtk namespace support by @mattwthompson in #38
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #40

New Contributors

• @Yoshanuikabundi made their first contribution in #28

Full Changelog: 0.1.6...0.1.7

0.1.6 Default string formatting

What's Changed

• Add Python 3.10 to CI matrix by @mattwthompson in #18
• Add minimal documentation to README by @mattwthompson in #19
• Do not use pkg_resources by @mattwthompson in #16
• Fix CI by @mattwthompson in #21
• added timestep unit by @richardjgowers in #20
• Add .gitattributes file by @mattwthompson in #24
• Use default string formatting, add more units for OpenMM compatibility by @mattwthompson in #25

New Contributors

• @richardjgowers made their first contribution in #20

Full Changelog: 0.1.5...0.1.6

Please note that there may still be some changes to the API prior to a stable 1.0.0 release.

0.1.5 Elements module

What's Changed

• Add minimal elements module by @mattwthompson in #14

Full Changelog: 0.1.4...0.1.5

Please note that there may still be some changes to the API prior to a stable 1.0.0 release.

0.1.4 OpenMM Daltons Compatibility

0.1.4 OpenMM Daltons Compatibility

This release resolves a difference in the definition of the Dalton unit between OpenMM and SI, improving compatibility with the existing behavior in OpenFF Evaluator.

Please note that there may still be some changes to the API prior to a stable 1.0.0 release.

0.1.3 Molar Energy Units

0.1.3 Molar Energy Units

This release adds calorie_per_mol, calories_per_mol, joule_per_mol, and joules_per_mol to the default registry in order to parse some strings found in SMIRNOFF force field files.

Please note that there may still be some changes to the API prior to a stable 1.0.0 release.

0.1.2 OpenMM Namespace

0.1.2 OpenMM Namespace

This release adds a module for interoperability with OpenMM units (openmm.unit) in their new namespace. The deprecated namespace (simtk.unit) is still supported with a separate module for backwards compatibility, but will be removed in a future release.

Please note that there may still be some changes to the API prior to a stable 1.0.0 release.