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Update release notes, backport earlier 0.50.x (#254)
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mattwthompson authored Jan 24, 2024
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Expand Up @@ -7,28 +7,45 @@ Releases follow the ``major.minor.micro`` scheme recommended by
* `minor` increments add features but do not break API compatibility
* `micro` increments represent bugfix releases or improvements in documentation

Releases are given with dates in DD-MM-YYYY format.

<!--## Version / Date DD-MM-YYYY -->
## Current development
## 0.50.2 / 24-01-2024

### New Features

* [PR #232:] Introduce runtime compatibility with Pydantic v1 and v2. (#232)
* [PR #232:] Introduce runtime compatibility with Pydantic v1 and v2. (#232) [@mattwthompson]
* [PR #251:] Use Psi4 1.9 by default. (#251) [@mattwthompson]

### Behavior changes

* [PR #238:] Removes dependency on OpenMM by using `openff-units` to map between atomic numbers and symbols, and other small internal changes. (#238) [@mattwthompson]

### API-breaking changes

* [PR #242:] Make tests private (`openff/qcsubmit/tests` --> `openff/qcsubmit/_tests`) (#242)
* [PR #242:] Make tests private (`openff/qcsubmit/tests` --> `openff/qcsubmit/_tests`) (#242) [@mattwthompson]

### Behavior changes
### Tests updated

* [PR #252:] Update constrained torsiondrive test to use a smaller molecule to avoid CI runs timing out. (#252) [@j-wags]

* [PR #238:] Removes dependency on OpenMM by using `openff-units` to map between atomic numbers and symbols, and other small internal changes. (#238)
## 0.50.1 / 10-11-2023

### Bugfixes

* [PR #237:] Correctly use `openff.units` in `TorsionDriveResultCollection.to_records()` and the same method of other classes. (#237) [@chapincavender]

### Tests updated
## 0.50.0 / 31-10-2023

For more information on this release, see https://github.com/openforcefield/openff-qcsubmit/releases/tag/0.50.0

### API-breaking changes

* [PR #195:] Support QCFractal 0.50+ (#195) [@j-wags]

### Bugfixes

* [PR #252:] Update constrained torsiondrive test to use a smaller molecule to avoid CI runs timing out. (#252)
* [PR #235:] Update `versioneer` for Python 3.12 compatibility (#235) [@Yoshanuikabundi]

## 0.4.0 / 11-15-2022

Expand Down Expand Up @@ -66,18 +83,22 @@ Releases follow the ``major.minor.micro`` scheme recommended by
[PR #187:]: https://github.com/openforcefield/openff-qcsubmit/pull/187
[PR #192:]: https://github.com/openforcefield/openff-qcsubmit/pull/192
[PR #193:]: https://github.com/openforcefield/openff-qcsubmit/pull/193
[PR #195:]: https://github.com/openforcefield/openff-qcsubmit/pull/195
[PR #198:]: https://github.com/openforcefield/openff-qcsubmit/pull/198
[PR #202:]: https://github.com/openforcefield/openff-qcsubmit/pull/202
[PR #204:]: https://github.com/openforcefield/openff-qcsubmit/pull/204
[PR #206:]: https://github.com/openforcefield/openff-qcsubmit/pull/206
[PR #232:]: https://github.com/openforcefield/openff-qcsubmit/pull/232
[PR #235:]: https://github.com/openforcefield/openff-qcsubmit/pull/235
[PR #237:]: https://github.com/openforcefield/openff-qcsubmit/pull/237
[PR #238:]: https://github.com/openforcefield/openff-qcsubmit/pull/238
[PR #242:]: https://github.com/openforcefield/openff-qcsubmit/pull/242
[PR #251:]: https://github.com/openforcefield/openff-qcsubmit/pull/251
[PR #252:]: https://github.com/openforcefield/openff-qcsubmit/pull/252

[@jthorton]: https://github.com/jthorton
[@dotsdl]: https://github.com/dotsdl
[@Yoshanuikabundi]: https://github.com/Yoshanuikabundi
[@mattwthompson]: https://github.com/mattwthompson
[@chapincavender]: https://github.com/chapincavender
[@j-wags]: https://github.com/j-wags

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