Conversation
lohedges
had a problem deploying
to
sire-build
September 23, 2026 12:18 — with
GitHub Actions
Failure
lohedges
had a problem deploying
to
sire-build
September 23, 2026 14:39 — with
GitHub Actions
Failure
lohedges
had a problem deploying
to
sire-build
September 23, 2026 19:17 — with
GitHub Actions
Failure
lohedges
had a problem deploying
to
sire-build
September 24, 2026 14:42 — with
GitHub Actions
Failure
This branch was successfully deployed
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Regenerating the SireOpenMM Python wrappers left out the link between the QM engines and Sire's core Property class. Up to now we've patched some of the wrappers by hand after each regeneration, and a full rebuild could quietly undo that. This PR fixes the regeneration scripts so the link is always kept, and it corrects the wrappers that were already missing it, including the lambda lever and perturbable molecule classes. A new test checks that these objects can be stored and retrieved as properties, which is how Sire passes the QM engine around.
Closes #487.
develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]