Skip to content
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

Test perses with new versions of core deps #1249

Open
wants to merge 14 commits into
base: main
Choose a base branch
from

Conversation

mikemhenry
Copy link
Contributor

@mikemhenry mikemhenry commented Jan 15, 2025

Description

We want to make sure the newest versions of openmm, openmmtools, and pymbar work with perses since the perses atom mapper is used by downstream tools, like openfe.

Motivation and context

Resolves #???

How has this been tested?

Change log


@mikemhenry mikemhenry changed the title lets see what versions get pulled in Test perses with new versions of core deps Jan 15, 2025
@ijpulidos
Copy link
Contributor

We should probably just remove all the reference to nose in the tests and see what fails. I suspect nose is there just for historical purposes and we are not really using it.

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.

2 participants