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9 | 9 | - [License and credits](#license-and-credits) |
10 | 10 | - [Deep Potential in a nutshell](#deep-potential-in-a-nutshell) |
11 | 11 | - [Download and install](#download-and-install) |
| 12 | + - [Easy installation methods](#easy-installation-methods) |
| 13 | + - [With Docker](#with-docker) |
| 14 | + - [With conda](#with-conda) |
| 15 | + - [Offline packages](#offline-packages) |
12 | 16 | - [Install the python interaction](#install-the-python-interface) |
13 | | - - [Easy installation methods](#easy-installation-methods) |
14 | 17 | - [Install the Tensorflow's python interface](#install-the-tensorflows-python-interface) |
15 | 18 | - [Install the DeePMD-kit's python interface](#install-the-deepmd-kits-python-interface) |
16 | 19 | - [Install the C++ interface](#install-the-c-interface) |
@@ -83,11 +86,29 @@ In addition to building up potential energy models, DeePMD-kit can also be used |
83 | 86 |
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84 | 87 | Please follow our [github](https://github.com/deepmodeling/deepmd-kit) webpage to see the latest released version and development version. |
85 | 88 |
|
86 | | -## Install the python interface |
| 89 | +## Easy installation methods |
| 90 | +There various easy methods to install DeePMD-kit. Choose one that you prefer. If you want to build by yourself, jump to the next two sections. |
| 91 | + |
| 92 | +### With Docker |
| 93 | +A docker for installing the DeePMD-kit on CentOS 7 is available [here](https://github.com/frankhan91/deepmd-kit_docker). |
| 94 | + |
| 95 | +### With conda |
| 96 | +DeePMD-kit is avaiable with [conda](https://github.com/conda/conda). Install [Anaconda](https://www.anaconda.com/distribution/#download-section) or [Miniconda](https://docs.conda.io/en/latest/miniconda.html) first. |
| 97 | + |
| 98 | +To install the CPU version: |
| 99 | +```bash |
| 100 | +conda install deepmd-kit=*=*cpu lammps-dp=*=*cpu -c deepmodeling |
| 101 | +``` |
87 | 102 |
|
88 | | -### Easy installation methods |
89 | | -A docker for installing the DeePMD-kit on CentOS 7 is available [here](https://github.com/frankhan91/deepmd-kit_docker). We are currently working on installation methods using the `conda` package management system and `pip` tools. Hope these will come out soon. |
| 103 | +To install the GPU version containing [CUDA 10.0](https://docs.nvidia.com/deploy/cuda-compatibility/index.html#binary-compatibility__table-toolkit-driver): |
| 104 | +```bash |
| 105 | +conda install deepmd-kit=*=*gpu lammps-dp=*=*gpu -c deepmodeling |
| 106 | +``` |
90 | 107 |
|
| 108 | +### Offline packages |
| 109 | +Both CPU and GPU version offline package are avaiable in [the Releases page](https://github.com/deepmodeling/deepmd-kit/releases). |
| 110 | + |
| 111 | +## Install the python interface |
91 | 112 | ### Install the Tensorflow's python interface |
92 | 113 | First, check the python version and compiler version on your machine |
93 | 114 | ```bash |
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