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This isn't implemented at this time, but we could make a larger CI run that tests more thoroughly/with multiple permutations of dependencies.
Draft a new GitHub release:
Target: vX.Y.Z (IMPORTANT - Remember the v!)
Release Title:
Version 1.9.3 Minor Release
Click Auto generate release notes, also check for commits since last release in case any changes were made outside of PRs. Sort changes into sections by "API breaking", "Behavior changes", "Minor changes and bugfixes", "Documentation and examples changed", and "Tests added/removed". Add a header manually, like `Minor changes and bugfixes".
# Minor changes and bugfixes since v1.9.2
* Update CI, fix compatibility with OpenMM 7.7 by @mattwthompson in https://github.com/leeping/forcebalance/pull/249
* Cache generate_conformers with hash_molecule_args_and_kwargs approach by @mattwthompson in https://github.com/leeping/forcebalance/pull/251
* Change molecule.qm_bondorder into a list of bond order matrices for all frames by @leeping in https://github.com/leeping/forcebalance/commit/a8659b20979c405f192d589e5bdbb606dc6ea641
**Full Changelog**: https://github.com/leeping/forcebalance/compare/v1.9.2...v1.9.3
Get a fork of the feedstock repo
If you don't have a personal fork of https://github.com/conda-forge/forcebalance-feedstock, then make one.
If you do have an old personal fork of https://github.com/conda-forge/forcebalance-feedstock, then update it with the most recent changes by running (replacing YOURUSERNAME with your GH username)
git pull --set-upstream [email protected]:conda-forge/forcebalance-feedstock.git
git push --set-upstream [email protected]:YOURUSERNAME/forcebalance-feedstock.git
Update the build info
in recipe/meta.yaml, update
- The version string at the top
- The build number to 0 if that's not already set
- Update the SHA with the value from the latest release. Get this using curl -sL https://github.com/leeping/forcebalance/archive/vX.Y.Z.tar.gz | openssl sha256
- Add any new dependencies since the last release (Looking at recent changes to the test env may help catch these)
Open a PR from your fork to conda-forge/forcebalance-feedstock (there's usually an option on top-level GitHub page for your fork)
Follow instructions, including rerendeing and such. Once tests pass, go ahead and merge.
Generally "Inform Lee Ping to make a pypi release", since he has the necessary account