Extention to CI capabilities with comparisions between CodeEntropy and MDAnalysis #92
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
…CodeEntropy with MDAnalysis
5 tasks
- Renamed the `CI.yaml` file to `project-ci.yaml` to make it more clear - Moved the MDAnalysis compatability tests to a seperate yaml file: - This is set to run each Monday morning at 08:00 UTC time - Any failures from this creates an issue to GitHub to fix
jimboid
requested changes
May 15, 2025
Member
jimboid
left a comment
jimboid
left a comment
There was a problem hiding this comment.
I think condense the two CI files into a single file with the matrix based tests, docs and precommit into a single workflow that constitutes a single pass/fail for the CI testing pipeline. You can just add the docs and precommit jobs to the other CI workflow.
Also - optionally take a look if using something like the issue creation action template I posted in the review would keep things concise and yaml only.
…90-ci-test-mdanalysis-version
- Combined and condensed the two CI files into one single file - `MDAnalysis` is set to schedule run every monday morning at 08:00 UTC - Refined the issue creation using a standard library approach to reduce complexity - Addition of a `mdanalysis-compatibility-failure.md` to auto create an issue to be submitted to GitHub to resolve
- Pulled in changes from upstream branches - Updaated naming conventions on the `MDAnalysis` tests
jimboid
approved these changes
May 15, 2025
Member
jimboid
left a comment
jimboid
left a comment
There was a problem hiding this comment.
Looks really good. Please go ahead and merge
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Outdated suggestions cannot be applied.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.
Summary
This PR enhances the CI pipeline by adding automated compatibility checks between
CodeEntropyand multiple versions ofMDAnalysis. The goal is to detect and address breaking changes introduced in newMDAnalysisreleases early in the development cycle.Changes
mdanalysis-compatability-matrix.yamlto testCodeEntropyagainst:latestMDAnalysisdynamically during CI runsImpact
CodeEntropyand evolvingMDAnalysisversions