mosdef-hub / foyer

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

https://foyer.mosdef.org

MIT License

119 stars 78 forks source link

Simplify Docker #451

Closed daico007 closed 3 years ago

daico007 commented 3 years ago

PR Summary:

Trying to mimic the Docker setup that currently exist in mBuild and GMSO. Relate to https://github.com/mosdef-hub/mbuild/pull/791, https://github.com/mosdef-hub/gmso/pull/537 and #408. Still working on new docstring.

PR Checklist

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

codecov[bot] commented 3 years ago

Codecov Report

Merging #451 (dfbcbd0) into master (78dbdaf) will decrease coverage by 0.00%. The diff coverage is n/a.

@@            Coverage Diff             @@
##           master     #451      +/-   ##
==========================================
- Coverage   73.88%   73.87%   -0.01%     
==========================================
  Files          17       17              
  Lines        1842     1849       +7     
==========================================
+ Hits         1361     1366       +5     
- Misses        481      483       +2