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@atravitz atravitz commented Oct 21, 2025

specifically, we need to include:

  • openfe/tests/data/openmm_rfe/benzene_toluene_hybrid_top/hybrid_topology_atoms.csv
  • openfe/tests/data/openmm_septop/system.xml.bz2

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No API break detected ✅

@atravitz
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@mikemhenry do you have thoughts on why our package install tests didn't catch this? https://github.com/OpenFreeEnergy/openfe/actions/runs/18672070570/job/53234967237

@atravitz atravitz marked this pull request as ready for review October 21, 2025 22:32
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codecov bot commented Oct 21, 2025

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 92.88%. Comparing base (84e090b) to head (23b067f).
⚠️ Report is 1 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1603      +/-   ##
==========================================
- Coverage   95.33%   92.88%   -2.45%     
==========================================
  Files         183      183              
  Lines       15765    15765              
==========================================
- Hits        15030    14644     -386     
- Misses        735     1121     +386     
Flag Coverage Δ
fast-tests 92.88% <ø> (?)
slow-tests ?

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@IAlibay IAlibay merged commit 96960e3 into main Oct 22, 2025
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@IAlibay IAlibay deleted the update_manifest branch October 22, 2025 14:12
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I'll look into this since this the point of these tests is to catch stuff like this!

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IAlibay commented Oct 22, 2025

@mikemhenry - we were discussing this a bit earlier, we think the slow tests aren't working properly, 14 mins is too short given the slow tests take hours to run.

@atravitz atravitz mentioned this pull request Dec 4, 2025
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4 participants