mosdef-hub / foyer

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

https://foyer.mosdef.org

MIT License

118 stars 77 forks source link

Remove simtk references for openmm 7.6 #457

Closed umesh-timalsina closed 3 years ago

umesh-timalsina commented 3 years ago

This PR removes all the simtk references for openmm imports and should be merged after https://github.com/ParmEd/ParmEd/issues/1185 is resolved. Tests will fail for the timebeing.

codecov[bot] commented 3 years ago

Codecov Report

Merging #457 (c90a2b0) into master (34da37c) will not change coverage. The diff coverage is 0.00%.

:exclamation: Current head c90a2b0 differs from pull request most recent head c8abf04. Consider uploading reports for the commit c8abf04 to get more accurate results

@@           Coverage Diff           @@
##           master     #457   +/-   ##
=======================================
  Coverage   73.87%   73.87%           
=======================================
  Files          17       17           
  Lines        1849     1849           
=======================================
  Hits         1366     1366           
  Misses        483      483

umesh-timalsina commented 3 years ago

/azp run

azure-pipelines[bot] commented 3 years ago

Azure Pipelines successfully started running 1 pipeline(s).

umesh-timalsina commented 3 years ago

/azp run

azure-pipelines[bot] commented 3 years ago

Azure Pipelines successfully started running 1 pipeline(s).

umesh-timalsina commented 3 years ago

I think this is good to merge after the tests pass.

mattwthompson commented 3 years ago

Assuming you intend to add the pin to the packaged builds, it would be useful to get a release with this in it soon. Thanks.