search

wehs7661 / ensemble_md

A python package for performing GROMACS simulation ensembles
MIT License
13 stars 4 forks source link

Final tweaks before releasing version 1.0.0 #54

Closed wehs7661 closed 3 months ago

wehs7661 commented 3 months ago

In this PR, we aim to resolve some CI issues and tweak the code/documentation as necessary.

codecov[bot] commented 3 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 95.51%. Comparing base (63cece8) to head (8bcdd9e).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #54 +/- ## ========================================== - Coverage 98.33% 95.51% -2.82% ========================================== Files 10 10 Lines 1919 1919 ========================================== - Hits 1887 1833 -54 - Misses 32 86 +54 ```

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.

wehs7661 commented 3 months ago

The drop in code coverage is related to MPI tests that we removed from CI builds. For context, please visit #55.