2019年10月9日微信公众号发

假定已经安装了Anaconda（建议使用最新版2019.07），已连接互联网，则

1.安装tensorflow（如仅需CPU版本的TensorFlow，则将tensorflow-gpu改为tensorflow）：

python -m pip install tensorflow

Successfully installed google-pasta-0.1.7 keras-applications-1.0.8 opt-einsum-3.1.0 tensorboard-2.0.0 tensorflow-estimator-2.0.0 tensorflow-gpu-2.0.0

2.安装deepmd-kit v1.0：

python -m pip install git+https://github.com/deepmodeling/deepmd-kit

Building wheels for collected packages: deepmd-kit
Building wheel for deepmd-kit (PEP 517) ... done
Created wheel for deepmd-kit: filename=deepmd_kit-1.0.0-cp37-cp37m-linux_x86_64.whl size=268836 sha256=1f5b1149bbf35c0c96c713cc8b607e0626ad0df6451a7
171d4f6b46acc2d4290
Stored in directory: /tmp/pip-ephem-wheel-cache-zlksq4dl/wheels/a2/80/6c/a26fba79e43199eb4cdba7a3686c5370d3620916f5a0ea23ac
Successfully built deepmd-kit
Installing collected packages: deepmd-kit
Successfully built deepmd-kit
Installing collected packages: deepmd-kit
Successfully installed deepmd-kit-1.0.0

大功告成！现在看一看是否成功安装：

dp -h

usage: dp [-h] {train,freeze,test} ...
DeePMD-kit: A deep learning package for many-body potential energy
representation and molecular dynamics
optional arguments:
-h, --help show this help message and exit
Valid subcommands:
{train,freeze,test}
train train a model
freeze freeze the model
test test the model

现在，DeePMD-kit v1.0.0已成功安装。下一期将介绍如何用DP编译LAMMPS。