-
Notifications
You must be signed in to change notification settings - Fork 19
Modernise build system #500
New issue
Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.
By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.
Already on GitHub? Sign in to your account
Open
lohedges
wants to merge
42
commits into
devel
Choose a base branch
from
feature_rattler
base: devel
Could not load branches
Branch not found: {{ refName }}
Loading
Could not load tags
Nothing to show
Loading
Are you sure you want to change the base?
Some commits from the old base branch may be removed from the timeline,
and old review comments may become outdated.
Open
Conversation
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
eaeedcb to
33fd75c
Compare
Contributor
Author
|
Finally fixed all the CI issues, what an absolute pain. Turns out the version of |
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Outdated suggestions cannot be applied.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.
This PR modernises the BioSimSpace build system by switching to
pixifor environment creation/maintenance andrattler-buildfor building conda packages. This builds on top of the changes to the Sire build system introduced here. In addition, the PR also removes the outdatedsetup.pyinstallation by introducing the a standardsrc/BioSimSpacelayout using apyproject.tom. I've also switched to usingversioningitfor package versioning for consistency with other downstream OpenBioSim packages.Other unrelated changes are:
Processbase class through the sub-module__init__to avoid lazy-loading issues.namd3, which was released in late 2025.This is the first time the CI will be run, so there might be minor issues to iron out.
Closes #358
develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]