RosettaCommons / rosetta

The Rosetta Bio-macromolecule modeling package.
https://www.rosettacommons.org
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Update the BCL to use the most recent version of the public repository. #15

Closed roccomoretti closed 7 months ago

roccomoretti commented 7 months ago

In light of opening Rosetta (and especially in light of the BCL being opened and switching repositories), it would be good to have Rosetta use the public version of the BCL repository, rather than the old private one.

Doing this is actually rather straightforward, effectively amounting to re-running the rosetta_integration/update_bcl.py script (though with some updates). There's some minor changes to the bcl.external.settings file.

I've also added an integration test, to check if the integration works. (It does on my machine.)

The big caveat is where/how to host the updated BCL repository. The commit with the associated SHA1 is in my fork of the public BCL repo at the moment, but before merging we can change that.

PR RosettaCommons/main#6042 advocated doing some musical chairs with the old and new repo. My thought is it's likely easiest if we just go with a new repo name -- that is, clone the BCLCommons/bcl repo as something like RosettaCommons/bcl_public, and then use that. That preserves the use of the old submodule SHA1s under the old repo name in history if anyone needs to use them, but allows us to use the new repo for future commits. The only downside is that the repo name on the BCLCommons and on RosettaCommons won't be exactly the same. (But I think it will be close enough not to matter.)

If such course of action is alright by people (particularly @brownbp1 & @lyskov who were active on 6042), then I can do the fork and push the relevant commit to the new repo name.