-
Notifications
You must be signed in to change notification settings - Fork 4
openff.interchange should be a dependency #70
Copy link
Copy link
Open
Description
Hi Devs,
I know the project is in an early stage, but I would already like to try it out. I installed it from conda-forge with micromamba, which seemed to have worked pretty well and also quickly.
However, when I tried to run the example from the user-guide
I received an error when initializing the runner:
prepared_system_a, prepared_system_b = absolv.runner.setup(system, config, force_field)
failed, because openff.interchange could not be imported.
I believe openff.interchange should be included in the dependencies, right?
Reactions are currently unavailable
Metadata
Metadata
Assignees
Labels
No labels