Closed spencercguo closed 1 year ago
How did you create the environment and install the toolkit? I can't reproduce this in a fresh environment (mamba create -n tmp openff-toolkit -c conda-forge
). The quickest solution is probably to create a new environment.
The environment I installed was with OpenMM 7.7 so perhaps that might have been the issue. I was able to install openff-toolkit
and load the Forcefield correctly with a fresh mamba installation.
Great!
The issue was probably Pint - the toolkit should work with OpenMM 7.7 - but as long as fresh environment works, I'm not eager to dig deeper into it.
Describe the bug When I try to load an OpenFF forcefield using the toolkit and Smirnoff, I get a strange error regarding a "missing unary operator".
To Reproduce
Output
Computing environment (please complete the following information): OS: Linux Python version: 3.9.15 These are the versions of OpenFF tools I have installed Conda environment: running
conda list | grep openff
yields