Attempting to fix failing CI

mosdef-hub / foyer

A package for atom-typing as well as applying and disseminating forcefields

https://foyer.mosdef.org

MIT License

119 stars 77 forks source link

Attempting to fix failing CI #533

Closed daico007 closed 1 year ago

daico007 commented 1 year ago

PR Summary:

I still haven't been able to identify the culprit, so I gonna take more like a trial-error approach here.

PR Checklist

[ ] Includes appropriate unit test(s)
[ ] Appropriate docstring(s) are added/updated
[ ] Code is (approximately) PEP8 compliant
[ ] Issue(s) raised/addressed?

daico007 commented 1 year ago

Partially identified issue come from the latest OpenMM release (8.0.0), probably gonna pin it to 7.7.0 for now (until we can have more time to deal with it)

daico007 commented 1 year ago

Final failed test is relying on new release of parmed (to include this fix https://github.com/ParmEd/ParmEd/pull/1290). For now, I gonna skip that test (after checking the parmed version).

codecov[bot] commented 1 year ago

Codecov Report

Merging #533 (426e4b0) into main (87681cd) will decrease coverage by 0.24%. The diff coverage is 100.00%.

Additional details and impacted files

```diff @@ Coverage Diff @@ ## main #533 +/- ## ========================================== - Coverage 69.31% 69.07% -0.24% ========================================== Files 16 16 Lines 1675 1675 ========================================== - Hits 1161 1157 -4 - Misses 514 518 +4 ```