Skip to content

[DNM] Test Ambertools 25#446

Draft
mikemhenry wants to merge 4 commits into
mainfrom
feat/test-ambertoolkit25
Draft

[DNM] Test Ambertools 25#446
mikemhenry wants to merge 4 commits into
mainfrom
feat/test-ambertoolkit25

Conversation

@mikemhenry

Copy link
Copy Markdown
Collaborator

I wanted to test ambertools 25 before I released it in some downstream envs, I only have uploaded the python 3.12 builds for linuxm, osx, and arm64 since I have limited space in my anaconda channel.

@mikemhenry

Copy link
Copy Markdown
Collaborator Author

I also have no idea if the tests will pass/run/work on arm

@peastman

Copy link
Copy Markdown
Member

Looks like it's failing with a version conflict. Espaloma 0.4.0 requires the existing OpenMMForceFields package, which requires an earlier version of AmberTools.

@mikemhenry

Copy link
Copy Markdown
Collaborator Author

Yah espaloma is tricky with dgl being unmaintained, luckily testing ambertools 25 doesn't need espaloma to be in the env

@codecov-commenter

codecov-commenter commented Jul 10, 2026

Copy link
Copy Markdown

⚠️ Please install the 'codecov app svg image' to ensure uploads and comments are reliably processed by Codecov.

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 74.71%. Comparing base (89cd3a1) to head (1bdd3b8).
❗ Your organization needs to install the Codecov GitHub app to enable full functionality.

❗ There is a different number of reports uploaded between BASE (89cd3a1) and HEAD (1bdd3b8). Click for more details.

HEAD has 27 uploads less than BASE
Flag BASE (89cd3a1) HEAD (1bdd3b8)
30 3
Additional details and impacted files
@@            Coverage Diff             @@
##             main     #446      +/-   ##
==========================================
- Coverage   84.48%   74.71%   -9.77%     
==========================================
  Files           5        5              
  Lines         799      799              
==========================================
- Hits          675      597      -78     
- Misses        124      202      +78     

☔ View full report in Codecov by Harness.
📢 Have feedback on the report? Share it here.

🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@mikemhenry mikemhenry marked this pull request as draft July 10, 2026 22:24
@mikemhenry mikemhenry changed the title Test Ambertools 25 [DNM] Test Ambertools 25 Jul 10, 2026
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

3 participants