openfe optimize CI

[ ] conda_cron.yaml : create environment all in one step, run at 5 UTC (eventually run long tests here)
[ ] package-test.yaml: turn this intomain_cron.yaml, run long tests here every night at 5 UTC - make our working dir such that we'll catch MANIFEST.in issues.
[ ] docker_cron.yaml: make sure this builds a docker image from main and not the latest conda forge
[ ] mypy.yaml: is this too permissive? check defaults and enforce ignore_missing_imports
[ ] installer.yaml: review this and update micromamba version etc.
[ ] gpu-runner.yaml and cpu-runner.yaml: rename these to gpu-integration-tests.yaml and cpu-long-test.yaml
[ ] clean_cache.yaml: nothing needed here
[ ] change.yaml: rename to api_break_check.yaml

for all:

[ ] unpin micromamba

Mar 14 '25 20:03 atravitz

@mikemhenry maybe we can also use if: github.event.pull_request.draft == false to avoid running expensive tests on draft PRs.

Mar 19 '25 18:03 atravitz

re: mypy defaults, I believe this is the list of defaults used: https://mypy.readthedocs.io/en/stable/error_code_list.html

Jun 05 '25 22:06 atravitz

re: docker-cron - I think this is saying that it's running on main (as opposed to the latest conda forge) https://github.com/OpenFreeEnergy/openfe/actions/runs/15096818271

the fact that it failed a few times also makes me thing it's running not on the latest conda forge release 😁

Jun 05 '25 23:06 atravitz

closing since all items are addressed, and any issues have been opened for new items.

Jul 18 '25 23:07 atravitz