Module not found after yank update

[gsabbih6]

ModuleNotFoundError: No module named 'simtk.openmm.app.element'

[mjw99]

This might be related to the recent top level Python package rename in OpenMM 7.6. Try installing an earlier version of OpenMM to your conda environment, e.g.:

conda install -y -c conda-forge openmm=7.5.1 

[jchodera]

@ijpulidos @mikemhenry : Can you help here? It looks like we need to cut new bugfix releases of yank and openmmtools that work with both openmm <7.6 and >=7.6

[mikemhenry]

I think we just need to cut a new release of openmmtools since this PR should fix the namespace issues and work with both openmm <7.6 and >=7.6

https://github.com/choderalab/openmmtools/pull/528

I'll see what we need to do in yank

[mjw99]

[edit]I think this may be resolved with the OpenMMTools 0.21.0 release?

[mikemhenry]

That will fix when the issue comes from OpenMMTools, I've got this PR https://github.com/choderalab/yank/pull/1263 to fix spots where yank imports openmm, but I need to fix the CI

[mjw99]

Ah apologies; I've jumped the gun a bit; thank you for the link.