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deepmd-kit-recipes/deepmd-kit-recipes

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DeePMD-kit conda recipes

Install packages

conda install deepmd-kit=*=*gpu lammps-dp=*=*gpu -c deepmodeling

Feels free to replace gpu with cpu.

dp -h
lmp -h

If you are in China, you can use the Tsinghua mirror instead the origin channel. Add the following to ~/.condarc:

default_channels:
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/main
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/free
deepmodeling:
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/cloud/deepmodeling