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Bump OpenFF stack#114

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Mar 30, 2026
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Bump OpenFF stack#114
j-wags merged 6 commits intomainfrom
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@mattwthompson mattwthompson commented Mar 11, 2026

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@mattwthompson mattwthompson changed the title Bump dependencies Bump OpenFF stack Mar 11, 2026
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github-actions bot commented Mar 11, 2026

This repository caches data generated from notebooks stored in other repositories in the _cookbook_data_* branches. Regenerating this cache takes about half an hour, so it is not done automatically in PRs. The current value of the cache from the main branch has been copied over to this PR's cache.

To regenerate the cache for this PR, create a comment on this PR consisting only of the string:

/regenerate-cache

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mattwthompson commented Mar 11, 2026

/regenerate-cache

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A workflow has been dispatched to regenerate the cookbook cache for this PR.

  • Run ID: 22961386301
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114

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A workflow dispatched to regenerate the cookbook cache for this PR has just finished.

  • Run ID: 22961386301
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114
  • Job status: failure
  • Notebooks status: N/A

Changes will only be visible in the ReadTheDocs preview after it has been rebuilt. You will need to be logged in to ReadTheDocs to see the rebuild option.

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mattwthompson commented Mar 11, 2026

/regenerate-cache

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A workflow has been dispatched to regenerate the cookbook cache for this PR.

  • Run ID: 22963089139
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114

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github-actions bot commented Mar 11, 2026

A workflow dispatched to regenerate the cookbook cache for this PR has just finished.

  • Run ID: 22963089139
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114
  • Job status: failure
  • Notebooks status: N/A

Changes will only be visible in the ReadTheDocs preview after it has been rebuilt. You will need to be logged in to ReadTheDocs to see the rebuild option.

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mattwthompson commented Mar 11, 2026

Blocked by conda-forge/openff-interchange-feedstock#123

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mattwthompson commented Mar 11, 2026

We could MAYBE have a workaround if we need this fixed ASAP but I wouldn't necessarily be a fan of it

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j-wags commented Mar 11, 2026

From my perspective - This is "next few weeks" important but not "messy hack to get it going right now" important.

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j-wags commented Mar 16, 2026

/regenerate-cache

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A workflow has been dispatched to regenerate the cookbook cache for this PR.

  • Run ID: 23156685549
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114

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github-actions bot commented Mar 16, 2026

A workflow dispatched to regenerate the cookbook cache for this PR has just finished.

  • Run ID: 23156685549
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114
  • Job status: failure
  • Notebooks status: 28 / 29 notebooks successfully executed (0 failures ignored)
  • Failing notebooks:
    • openforcefield/openff-nagl/train-gnn-to-electric-field/train-gnn-to-electric-field.ipynb
    • [ignored]

Changes will only be visible in the ReadTheDocs preview after it has been rebuilt. You will need to be logged in to ReadTheDocs to see the rebuild option.

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mattwthompson commented Mar 27, 2026

/regenerate-cache

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A workflow has been dispatched to regenerate the cookbook cache for this PR.

  • Run ID: 23647436014
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114

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github-actions bot commented Mar 27, 2026

A workflow dispatched to regenerate the cookbook cache for this PR has just finished.

  • Run ID: 23647436014
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114
  • Job status: cancelled
  • Notebooks status: N/A

Changes will only be visible in the ReadTheDocs preview after it has been rebuilt. You will need to be logged in to ReadTheDocs to see the rebuild option.

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mattwthompson commented Mar 27, 2026

/regenerate-cache

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A workflow has been dispatched to regenerate the cookbook cache for this PR.

  • Run ID: 23650752281
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114

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github-actions bot commented Mar 27, 2026

A workflow dispatched to regenerate the cookbook cache for this PR has just finished.

  • Run ID: 23650752281
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114
  • Job status: failure
  • Notebooks status: 28 / 29 notebooks successfully executed (0 failures ignored)
  • Failing notebooks:
    • openforcefield/openff-nagl/train-gnn-to-electric-field/train-gnn-to-electric-field.ipynb
    • [ignored]

Changes will only be visible in the ReadTheDocs preview after it has been rebuilt. You will need to be logged in to ReadTheDocs to see the rebuild option.

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mattwthompson commented Mar 27, 2026

/regenerate-cache

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A workflow has been dispatched to regenerate the cookbook cache for this PR.

  • Run ID: 23652441917
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114

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github-actions bot commented Mar 27, 2026

A workflow dispatched to regenerate the cookbook cache for this PR has just finished.

  • Run ID: 23652441917
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114
  • Job status: failure
  • Notebooks status: 28 / 29 notebooks successfully executed (0 failures ignored)
  • Failing notebooks:
    • openforcefield/openff-interchange/virtual_sites/virtual_sites.ipynb
    • [ignored]

Changes will only be visible in the ReadTheDocs preview after it has been rebuilt. You will need to be logged in to ReadTheDocs to see the rebuild option.

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mattwthompson commented Mar 27, 2026

/regenerate-cache

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A workflow has been dispatched to regenerate the cookbook cache for this PR.

  • Run ID: 23654061116
  • Triggering actor: github-actions[bot]
  • Target branch: bump
  • Deployment branch: _cookbook_data_PR114

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github-actions bot commented Mar 27, 2026

A workflow dispatched to regenerate the cookbook cache for this PR has just finished.

  • Run ID: 23654061116

  • Triggering actor: github-actions[bot]

  • Target branch: bump

  • Deployment branch: _cookbook_data_PR114

  • Job status: success

  • Notebooks status: 29 / 29 notebooks successfully executed (0 failures ignored)

    • [ignored]

Changes will only be visible in the ReadTheDocs preview after it has been rebuilt. You will need to be logged in to ReadTheDocs to see the rebuild option.

@mattwthompson mattwthompson marked this pull request as ready for review March 27, 2026 17:55
@mattwthompson mattwthompson mentioned this pull request Mar 27, 2026
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j-wags
j-wags approved these changes Mar 30, 2026
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Thanks @mattwthompson!

@j-wags j-wags merged commit 292b009 into main Mar 30, 2026
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