deepmodeling / DMFF

DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
GNU Lesser General Public License v3.0
156 stars 43 forks source link

[BUG] Conda installation issues #191

Open junminchen opened 1 week ago

junminchen commented 1 week ago

Bug summary

After using conda install dmff, which installs JAX version 0.4.28, the issue occurs. (DMFF is supposed to support JAX versions under 0.4.24.)

ImportError: cannot import name 'config' from 'jax.config' (/global/home/users/jmchen24/miniconda3/envs/py39/lib/python3.9/site-packages/jax/config.py)

should it be fixed in conda installlation? or update DMFF settings.py?

DMFF Version

1.0.0

JAX Version

0.4.28

OpenMM Version

8.2.0

How did you download the software?

Others (write below)

Input Files, Running Commands, Error Log, etc.

conda

Steps to Reproduce

conda install dmff

import dmff

Further Information, Files, and Links

No response