Becksteinlab / MDPOW

Calculation of water/solvent partition coefficients with Gromacs.
https://mdpow.readthedocs.io
GNU General Public License v3.0
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test on GROMACS 2022 and 2023 #255

Closed orbeckst closed 1 year ago

orbeckst commented 1 year ago
orbeckst commented 1 year ago

Once the CI is all green, please have a quick look.

If changes are needed, do a request changes review and state what needs to be done.

Otherwise do a approve "LGTM".

Thanks.

codecov[bot] commented 1 year ago

Codecov Report

Merging #255 (301ef52) into develop (172b354) will not change coverage. The diff coverage is n/a.

@@           Coverage Diff            @@
##           develop     #255   +/-   ##
========================================
  Coverage    80.74%   80.74%           
========================================
  Files           15       15           
  Lines         1906     1906           
  Branches       294      294           
========================================
  Hits          1539     1539           
  Misses         276      276           
  Partials        91       91           

:mega: We’re building smart automated test selection to slash your CI/CD build times. Learn more

orbeckst commented 1 year ago

Everything passed on the first attempt so I assume we can merge this soon.

I changed the branch protection settings so that the new 2023.1 tests are now required.

orbeckst commented 1 year ago

@cadeduckworth please have a look, I addressed your changes.

Once you're happy, approve, and then you can merge the PR. (After your approval, everything should be green and the green merge button should appear for you. You can just merge the PR as all commits are self contained. On more complicated PRs we would squash merge.)

cadeduckworth commented 1 year ago

@orbeckst done!