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use beta of openeye toolkit #887
Conversation
Two things to consider:
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@mikemhenry Thanks for making the PR and changes. Do we know what beta we are getting? We know the OpenEye toolkits releases a lot of betas before the actual rc, so I don't really know if we can be sure we are testing the "right" one or whether we should be just testing the rc that will eventually come from the beta. Thoughts? |
@ijpulidos I'm not sure what you mean, once the tests run (had a syntax issue) we should be able to check to see if the newest beta was pulled into the env once our testing hits that step. I thought we wanted to test the betas, and the changes in this PR should (I will double check) pull in the newest beta it can grab. |
Looks like it pulled in |
@ijpulidos It sounds like the Beta and RC will be close enough for our purposes, so I think this is ready to merge. |
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LGTM 🎉
Description
This PR installs openeye toolkit with the
beta
label https://anaconda.org/OpenEye/OpenEye-toolkits/filesInstead of expanding the matrix, I opted to do this as part of the openmm nightly check, since it isn't required to pass + didn't want to eat up too much CI time.
Motivation and context
We want to be able to check if any changes to the toolkit cause our tests to fail. We also want to be able to report bugs back to openeye.
Resolves #883
How has this been tested?
Change log