Code

Get notebooks building again#27

Code

Merged

Yoshanuikabundi merged 17 commits intomainopenforcefield/openff-docs:mainfrom fix-actionsopenforcefield/openff-docs:fix-actionsCopy head branch name to clipboardMar 20, 2024

+148-32

Commits

Commits on Dec 18, 2023

• Support tags with/without leading v

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  7fad3d5

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• attempt to fix lint

  Yoshanuikabundi

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  26feeba

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• Insist on Toolkit 0.14.5

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  8204280

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• Try unpinning nagl

  Yoshanuikabundi

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  df5318c

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• Let cookbook choose nagl tag

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• Support subdirectories with colab

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  500eb24

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• Extend notebook cell timeout from 600 -> 1200

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Commits on Dec 19, 2023

• Get NAGL examples from fixed commit in openforcefield/openff-nagl#73

  Yoshanuikabundi

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  b8ef691

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• Get NAGL examples from branch in openforcefield/openff-nagl#73

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  4634bed

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Commits on Mar 19, 2024

• Merge branch 'main' into fix-actions

  Yoshanuikabundi

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  29a69e6

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• Update nagl and dgl in examples env

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  638b2ed

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• Get examples from latest nagl

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  b27a8fb

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• Clean up tag collection

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  204168b

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• Skip some broken notebooks

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  35ce09d

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• Skip some broken notebooks

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  58c2b2d

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Commits on Mar 20, 2024

• OMP_NUM_THREADS=1 -> 2 to fix toolkit showcase

  Yoshanuikabundi

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  7cbb304

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• Remove OMP_NUM_THREADS env var from execute_notebooks

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  897cd92

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