[DNM] Test Ambertools 25#446
Conversation
|
I also have no idea if the tests will pass/run/work on arm |
|
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. |
|
Yah espaloma is tricky with dgl being unmaintained, luckily testing ambertools 25 doesn't need espaloma to be in the env |
|
Codecov Report✅ All modified and coverable lines are covered by tests.
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. 🚀 New features to boost your workflow:
|
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.