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

Define support policy for OpenMM versions #747

Open
ijpulidos opened this issue Sep 12, 2024 · 2 comments
Open

Define support policy for OpenMM versions #747

ijpulidos opened this issue Sep 12, 2024 · 2 comments
Milestone

Comments

@ijpulidos
Copy link
Contributor

We probably need to define a policy in terms of what OpenMM versions we support. I am not sure OpenMM follows semantic versioning or any versioning system, but we should probably try to come up with a reasonable policy of what versions we want to support from OpenMM, assuming OpenMM uses MAJOR.MINOR.PATCH convention (which it does so far).

@ijpulidos ijpulidos added this to the 0.23.2 milestone Sep 12, 2024
@ijpulidos ijpulidos mentioned this issue Sep 12, 2024
5 tasks
@mikemhenry
Copy link
Contributor

This is a good question, OpenMM doesn't really follow semantic versioning (breaking API changes happen without MAJOR bump). I propose that we support the current release and at a best effort support the n-1 release.

@mainguyenanhvu
Copy link

I found that when I use different combination of openmm and openmmtools, it has potential errors like this case of openmm 7.5.1 and openmmtools 0.24.0:

python3.9/site-packages/openmmtools/utils/equilibration.py", line 6, in <module>
    from openmm import unit, OpenMMException
ModuleNotFoundError: No module named 'openmm'

However, when I use openmmtools 0.19.0 with openmm 7.5.1, it works well.

You please show me suitable combinations of these tools, so I can easily work.

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

No branches or pull requests

3 participants