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Openfe issue 278 #183

Merged
merged 4 commits into from
Apr 27, 2023
Merged

Openfe issue 278 #183

merged 4 commits into from
Apr 27, 2023

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richardjgowers
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related to off tk #1563
related to off tk #1563
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codecov bot commented Apr 25, 2023

Codecov Report

Patch and project coverage have no change.

Comparison is base (e47c7af) 99.04% compared to head (a64768e) 99.04%.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #183   +/-   ##
=======================================
  Coverage   99.04%   99.04%           
=======================================
  Files          35       35           
  Lines        1684     1684           
=======================================
  Hits         1668     1668           
  Misses         16       16           

☔ View full report in Codecov by Sentry.
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@IAlibay IAlibay left a comment

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hold until end of week for possible off-tk release

@mikemhenry
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Even if this is fixed upstream, I think we should keep this test https://github.com/OpenFreeEnergy/gufe/pull/183/files#diff-5ec98522e7a8c553d2a8736b0bad178b7acf7182d2434480037c377fd26c2726R325

This reverts commit 812b7be.
v0.13.0 fixes a bug around aromaticity
@richardjgowers richardjgowers changed the title [wip] Openfe issue 278 Openfe issue 278 Apr 27, 2023
@richardjgowers richardjgowers dismissed IAlibay’s stale review April 27, 2023 11:40

removed code changes, just updated fftk pin

@richardjgowers richardjgowers merged commit 6fc5d85 into main Apr 27, 2023
@richardjgowers richardjgowers deleted the openfe_issue-278 branch April 27, 2023 11:41
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3 participants