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mosdef-hub / gmso

Flexible storage of chemical topology for molecular simulation
https://gmso.mosdef.org
MIT License
53 stars 32 forks source link

Fix hoomd version handling in `convert_hoomd.py` #828

Closed chrisjonesBSU closed 3 weeks ago

chrisjonesBSU commented 3 weeks ago

I've noticed a bug that you will get hoomd not defined error when importing anything from gmso.external (even from_mbuild and to_mbuild) and don't have hoomd in your environment.

This is happening because the hoomd import in convert_hoomd is under an if statement, but a few lines later we call hoomd.version

@CalCraven @daico007 should we do a quick patch release to get this fix in the conda package asap?

daico007 commented 3 weeks ago

Yeah, I think this warrants a patch release

codecov[bot] commented 3 weeks ago

Codecov Report

Attention: Patch coverage is 50.00000% with 1 line in your changes missing coverage. Please review.

Project coverage is 94.04%. Comparing base (5b3040a) to head (855f07a). Report is 4 commits behind head on main.

Files Patch % Lines
gmso/external/convert_hoomd.py 50.00% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #828 +/- ## ========================================== - Coverage 94.09% 94.04% -0.05% ========================================== Files 65 65 Lines 6870 6953 +83 ========================================== + Hits 6464 6539 +75 - Misses 406 414 +8 ```

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