* Let's use python 3.12 on the docker image
* try installing the rdkit version I want to test
* free up diskspace
* include source
* Apply suggestion from @atravitz
* fix indent
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Co-authored-by: Alyssa Travitz <31974495+atravitz@users.noreply.github.com>
* see if this can push to ghcr
* fix URI
* don't push docker image
* don't push docker image
* see if this lets us login to ghcr
* we can push to github's container registry directly
* now when we trigger a build, we build the latest version we can discover from the tags
* forgot to remove bit where we install package from source
* use docker ignore to make sure we keep the context as small as we can
* make it explicit we don't push before we test, and make sure we have the same build args for when we do push
* add juypterlab and notebook to docker image
* Apply suggestions from code review
* yolo
* see if we can get GPU stuff working on lilac
* try and use a chache to save some bits over the wire (and time)
* I think I was cleaning the cache
* build cache now is being weird
* skip caching for now
* god I am so close to shooting all this auto versioning shit into the sun
* Add parity to main env file
* add docker test
* fix image name
* trying to figure out the right image name
* messed up the tags
* hardcode for now
* see if this fixes version
* forgot we still need to include git to handel the git+https installs
* build the package, then install it. This solves the issue of not having a git repo
* make sure we get the tags
* pin python for now, will use lock file eventually
* pull in 323 so I can have the test files
* now lets see if we can build the image
* test apptainer image
* print gufe version to see if I can reproduce failing tests
* autodoc_pydantic is on cf as autodoc-pydantic
* messed up merge
* fix issue where we would get a key error if `OFE_SLOW_TESTS` was unset
* see if we have some race going on
* see if gufe tests work
* run tests seperately
* invoke all tests seperately
* skip test that fails in docker image
* make sure docker image has envar we need for test skipping
* reference issue #342
* set default shell
* see if this works to generalize image name
* see if we can just tag it how I want to
* see if this works for the tag
* use version as tag
* Fix white space issues
* vim and web ui disagree where the whitespace is
* white space rage
* I think this fixed the tabs
* try and build an image nightly and test it
* build on latest tag
* I forgot when this action is triggered by a tag, it will build correctly
* install gufe from conda-forge
* Apply suggestions from code review
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
* fix apptainer image name
* stop building on this branch for CI testing
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Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
