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Set OMP_NUM_THREADS in preprocessing#54

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mattwthompson wants to merge 17 commits intomainopenforcefield/openff-docs:mainfrom fix-sqm-stallopenforcefield/openff-docs:fix-sqm-stallCopy head branch name to clipboard

+103-21

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Commits on Mar 22, 2024

• Initial sequential implementation of notebook failure detection

  Yoshanuikabundi

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  e528e97

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• More verbose summary

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Commits on Mar 25, 2024

• Merge branch 'main' into skip-failing-notebooks

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Commits on Apr 4, 2024

• Keep log of failed notebooks

  Yoshanuikabundi

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  4ae10b0

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• Make failure log configurable

  Yoshanuikabundi

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• Report failed notebooks in PR

  Yoshanuikabundi

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  a27987d

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• Improve formatting and fix log filename

  Yoshanuikabundi

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• Fixes

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• str -> path

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• Keep failing notebooks env on one line

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Commits on Apr 5, 2024

• Try reporting failing notebooks as JSON

  Yoshanuikabundi

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• Provide a clearer report to PRs

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  b51f0b1

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• Replace \n with literal newline

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Commits on Apr 26, 2024

• Run notebooks in multiple processes

  Yoshanuikabundi

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  ee3d5c9

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Commits on Apr 30, 2024

• Set OMP_NUM_THREADS in preprocessing

  mattwthompson

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  f7b3c63

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• Merge remote-tracking branch 'upstream/skip-failing-notebooks' into fix-sqm-stall

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  2095495

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• Make GROMACS less upset

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