Failures due to API changes in `openmmtools`
Closed this issue · 3 comments
See for example: https://github.com/openforcefield/openff-evaluator/actions/runs/4685350308/jobs/8302368552?pr=509
It looks like the import path changed in choderalab/openmmtools#669 without complete re-exporting of the old paths
@mattwthompson that's correct, that changed upstream, a quick fix here is doing the ugly from openmmtools.utils.utils import find_subclass. But maybe we just want the complete re-export of all the elements in utils.pyupstream.
Yup that's what I did - re-exporting everything again might be a good idea, though. It looks like that was attempted (mostly successfully) in that PR.
I'm mostly raising this because it breaks (some part of) Yank, which I can't patch and fire off a release of
upstream choderalab/openmmtools#698 was already merged and there's a new 0.23 release of openmmtools in conda-forge. This should be solved now.