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0.8.1 release notes and cleanups #777

Merged
merged 5 commits into from Dec 7, 2020
Merged

0.8.1 release notes and cleanups #777

merged 5 commits into from Dec 7, 2020

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j-wags
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@j-wags j-wags commented Dec 7, 2020 •
edited

  • Actually prints out RDKit undefined stereo message if it's downgraded to a warning (previously, msg was set, but never printed)
  • Update changelog
  • Polish releasenotes for 0.8.1 release

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codecov bot commented Dec 7, 2020 •
edited

Codecov Report

Merging #777 (c2b32f8) into master (76571d2) will not change coverage.
The diff coverage is 100.00%.

mattwthompson
mattwthompson approved these changes Dec 7, 2020
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LGTM once tests pass

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Some minor errors in
notebooks: https://pipelines.actions.githubusercontent.com/u2Wf9sTwFK9NZj8rRqcrkPO1UF3tPeGIdu4NysSHujaRyWbUAY/_apis/pipelines/1/runs/2017/signedlogcontent/10?urlExpires=2020-12-07T18%3A12%3A00.9047566Z&urlSigningMethod=HMACV1&urlSignature=Na9FMPCPlQvTk4S74SGIJU8wB48gsgPe%2B5e4WLQTdz4%3D

@mattwthompson
Use returnPNG=True in RDKit visualization call
6faa438
@mattwthompson
Remove continue-on-error: true in CI
6181077 
Previously, this flag caused all failing steps to be reported as
passing, which caused silent false negatives.
@mattwthompson
Skip using_smirnoff_in_amber_or_gromacs
c2b32f8
@mattwthompson mattwthompson mentioned this pull request Dec 7, 2020
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Looked through the logs and there are no longer any silent errors

@j-wags j-wags merged commit 4641ec1 into master Dec 7, 2020
@j-wags j-wags deleted the benchmarking-fixes branch December 7, 2020 21:05
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