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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?
The text was updated successfully, but these errors were encountered:
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?The text was updated successfully, but these errors were encountered: