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Fix SepTop resume test#2048

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IAlibay merged 2 commits into
mainfrom
fix/issue-2046
Jun 29, 2026
Merged

Fix SepTop resume test#2048
IAlibay merged 2 commits into
mainfrom
fix/issue-2046

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@IAlibay

@IAlibay IAlibay commented Jun 28, 2026

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Fixes #2046

Checklist

  • [-] All new code is appropriately documented (user-facing code must have complete docstrings).
  • [-] Added a news entry, or the changes are not user-facing.
  • Ran pre-commit: you can run pre-commit locally or comment on this PR with pre-commit.ci autofix.

Manual Tests: these are slow so don't need to be run every commit, only before merging and when relevant changes are made (generally at reviewer-discretion).

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@IAlibay

IAlibay commented Jun 28, 2026

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test_septop_resume.py all pass (including GPU ones) locally.

@IAlibay

IAlibay commented Jun 28, 2026

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pre-commit.ci autofix

@IAlibay IAlibay requested a review from hannahbaumann June 28, 2026 16:39
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No API break detected ✅

View workflow run

Griffe output
$ griffe check "openfe" -s src --no-inspection --no-color --verbose -a origin/main

$ griffe check "openfecli" -s src --no-inspection --no-color --verbose -a origin/main

@codecov

codecov Bot commented Jun 28, 2026

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Codecov Report

❌ Patch coverage is 16.66667% with 5 lines in your changes missing coverage. Please review.
✅ Project coverage is 90.57%. Comparing base (541e1ca) to head (1408277).

Files with missing lines Patch % Lines
...ests/protocols/openmm_septop/test_septop_resume.py 16.66% 5 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #2048      +/-   ##
==========================================
- Coverage   94.95%   90.57%   -4.38%     
==========================================
  Files         217      217              
  Lines       20768    20774       +6     
==========================================
- Hits        19720    18817     -903     
- Misses       1048     1957     +909     
Flag Coverage Δ
fast-tests 90.57% <16.66%> (?)
slow-tests ?

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@hannahbaumann hannahbaumann left a comment

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Thanks @IAlibay , lgtm!

@IAlibay IAlibay merged commit 31fea97 into main Jun 29, 2026
9 of 10 checks passed
@IAlibay IAlibay deleted the fix/issue-2046 branch June 29, 2026 12:17
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septop resume test failing

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