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Merge branch 'main' into docs_user_guide_edits
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hannahbaumann authored Nov 15, 2024
2 parents 4273a36 + 4c06370 commit 6e44bfb
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14 changes: 14 additions & 0 deletions .github/PULL_REQUEST_TEMPLATE/release_template.md
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<!--
Checklist for releasing a new version of openfe.
-->

Make the PR:
* [ ] Create a new release-prep branch corresponding to the version name, e.g. `release-prep-v1.2.0`. Note: please follow [semantic versioning](https://semver.org/).
* [ ] Check that all user-relevant updates are included in the `news/` rever `.rst` files. You can backfill any additional items by making a new .rst, e.g. `backfill.rst`
* [ ] Run [rever](https://regro.github.io/rever-docs/index.html#), e.g. `rever 1.2.0`. This will auto-commit `docs/CHANGELOG.md` and remove the `.rst` files from `news/`.
* [ ] Verify that`docs/CHANGELOG.md` looks correct.
* [ ] Make the PR and verify that CI/CD passes.
* [ ] Merge the PR into `main`.

After Merging the PR [follow this guide](https://github.com/OpenFreeEnergy/openfe/wiki/How-to-create-a-new-release)

2 changes: 1 addition & 1 deletion environment.yml
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Expand Up @@ -26,7 +26,7 @@ dependencies:
- openfe-analysis>=0.2.0
- click
- typing-extensions
- openmm >=8.0.0,!=8.1.0
- openmm >=8.0.0,!=8.1.0,<8.2.0
- openmmtools
- openmmforcefields
- perses
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