Update Interchange to 0.4.0

[Yoshanuikabundi]

No description provided.

[github-actions]

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

[Yoshanuikabundi]

/regenerate-cache

[github-actions]

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

• Run ID: 11703458106
• Triggering actor: github-actions[bot]
• Target branch: interchange-0-4-0
• Deployment branch: _cookbook_data_PR66

[github-actions]

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

• Run ID: 11703458106
• Triggering actor: github-actions[bot]
• Target branch: interchange-0-4-0
• Deployment branch: _cookbook_data_PR66
• Job status: failure
• Notebooks status: 29 / 30 notebooks successfully executed (0 failures ignored)
• Failing notebooks:
  • openforcefield/openff-toolkit/using_smirnoff_with_amber_protein_forcefield/BRD4_inhibitor_benchmark.ipynb
  • [ignored]

Changes will only be visible in the ReadTheDocs preview after it has been rebuilt.

[Yoshanuikabundi]

@j-wags @mattwthompson The above notebook failure has already been fixed in the Toolkit, so we need to either

1. Make a new Toolkit release
2. Wait to merge this and leave the examples on Interchange 0.3.x, or
3. Merge this and let the failing example continue to fail until a new Toolkit release comes out - the notebook will not be displayed on the examples page, but everything else will be fine.

[mattwthompson]

I think Jeff is in the process of rolling out (1)

[Yoshanuikabundi]

/regenerate-cache

[j-wags]

I quietly made the Toolkit 0.16.6 release last Friday which updates the examples, so hopefully rerunning CI will get these going again.

[github-actions]

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

• Run ID: 11788576183
• Triggering actor: github-actions[bot]
• Target branch: interchange-0-4-0
• Deployment branch: _cookbook_data_PR66

[github-actions]

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

• Run ID: 11788576183
• Triggering actor: github-actions[bot]
• Target branch: interchange-0-4-0
• Deployment branch: _cookbook_data_PR66
• Job status: failure
• Notebooks status: 30 / 31 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.

[Yoshanuikabundi]

/regenerate-cache

[github-actions]

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

• Run ID: 11789636878
• Triggering actor: github-actions[bot]
• Target branch: interchange-0-4-0
• Deployment branch: _cookbook_data_PR66

[github-actions]

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

• Run ID: 11789636878
• Triggering actor: github-actions[bot]
• Target branch: interchange-0-4-0
• Deployment branch: _cookbook_data_PR66
• Job status: failure
• Notebooks status: 30 / 31 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.

[Yoshanuikabundi]

/regenerate-cache

[github-actions]

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

• Run ID: 11790209764
• Triggering actor: github-actions[bot]
• Target branch: interchange-0-4-0
• Deployment branch: _cookbook_data_PR66

[github-actions]

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

• Run ID: 11790209764
• Triggering actor: github-actions[bot]
• Target branch: interchange-0-4-0
• Deployment branch: _cookbook_data_PR66
• Job status: success
• Notebooks status: 31 / 31 notebooks successfully executed (0 failures ignored)

• Failing notebooks:

  • [ignored]

Changes will only be visible in the ReadTheDocs preview after it has been rebuilt.