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Fix OpenMMForceFields gaff tests version checks #893

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merged 1 commit into from
Jul 21, 2024
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@IAlibay IAlibay commented Jul 21, 2024

Fixes #890

For now I'm leaving the ommforcefields 0.13 check, this is so that we know the tests don't fail with older versions of OpenMM. Once the next version of OpenMMForceFields is out where gaff is supported with older OpenMM versions then we should remove these checks.

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codecov bot commented Jul 21, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 92.17%. Comparing base (ecc8a50) to head (72431cc).

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #893      +/-   ##
==========================================
- Coverage   93.98%   92.17%   -1.81%     
==========================================
  Files         134      134              
  Lines        9790     9790              
==========================================
- Hits         9201     9024     -177     
- Misses        589      766     +177     
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IAlibay commented Jul 21, 2024

Will deal with mypy failure elsewhere

@IAlibay IAlibay merged commit 9de8fa6 into main Jul 21, 2024
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@IAlibay IAlibay deleted the gaff-update branch July 21, 2024 17:45
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CI faiing with new OMMForceFields release
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