Errors when installing by conda

Question

Errors when installing by conda

zaixizhang opened this issue 2 months ago · 2 comments

Hi,

I tried to follow the readme to install by conda. When running pip install unigbsa gmx_MMPBSA>=1.5.6 lickit, I encountered "ERROR: Could not build wheels for mpi4py, which is required to install pyproject.toml-based projects". However, I checked that mpi4py is already installed. Could you kindly provide some suggestions?

Thanks!

Answer 1 · 2024-07-04T07:33:33.000Z

Try this commands:

pip install gmx_MMPBSA==1.6.1 unigbsa

Answer 2 · 2024-07-04T15:06:53.000Z

Thanks, it works for me!