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docs: update installation documentation #1372

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Oct 31, 2023
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docs: update installation documentation #1372

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20 changes: 6 additions & 14 deletions README.md
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Expand Up @@ -23,22 +23,14 @@ Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, and

## Download and Install

DP-GEN only supports Python 3.9 and above.
DP-GEN only supports Python 3.9 and above. You can use one of the following methods to install DP-GEN:

- Install via pip: `pip install dpgen`
- Install via conda: `conda install -c conda-forge dpgen``
- Install from source code: `git clone https://github.com/deepmodeling/dpgen && pip install ./dpgen`

One can download the source code of dpgen by
```bash
git clone https://github.com/deepmodeling/dpgen.git
```
then you may install DP-GEN easily by:
```bash
cd dpgen
pip install --user .
```
With this command, the dpgen executable is install to `$HOME/.local/bin/dpgen`. You may want to export the `PATH` by
```bash
export PATH=$HOME/.local/bin:$PATH
```
To test if the installation is successful, you may execute

```bash
dpgen -h
```
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23 changes: 6 additions & 17 deletions doc/overview/overview.md
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Expand Up @@ -5,7 +5,7 @@
[![GitHub release](https://img.shields.io/github/release/deepmodeling/dpgen.svg?maxAge=86400)](https://github.com/deepmodeling/dpgen/releases/)
[![doi:10.1016/j.cpc.2020.107206](https://img.shields.io/badge/DOI-10.1016%2Fj.cpc.2020.107206-blue)](https://doi.org/10.1016/j.cpc.2020.107206)
![Citations](https://citations.njzjz.win/10.1016/j.cpc.2020.107206)
[![conda install](https://img.shields.io/conda/dn/deepmodeling/dpgen?label=conda%20install)](https://anaconda.org/deepmodeling/dpgen)
[![conda install](https://img.shields.io/conda/dn/conda-forge/dpgen?label=conda%20install)](https://anaconda.org/conda-forge/dpgen)
[![pip install](https://img.shields.io/pypi/dm/dpgen?label=pip%20install)](https://pypi.org/project/dpgen)

DP-GEN (Deep Generator) is a software written in Python, delicately designed to generate a deep learning based model of interatomic potential energy and force field. DP-GEN is dependent on [DeepMD-kit](https://github.com/deepmodeling/deepmd-kit/blob/master/README.md). With highly scalable interface with common softwares for molecular simulation, DP-GEN is capable to automatically prepare scripts and maintain job queues on HPC machines (High Performance Cluster) and analyze results.
Expand All @@ -21,28 +21,17 @@ Yuzhi Zhang, Haidi Wang, Weijie Chen, Jinzhe Zeng, Linfeng Zhang, Han Wang, and

## Download and install

DP-GEN only supports Python 3.9 and above.

Please follow our [GitHub](https://github.com/deepmodeling/dpgen) webpage to download the [latest released version](https://github.com/deepmodeling/dpgen/tree/master) and [development version](https://github.com/deepmodeling/dpgen/tree/devel).
One can download the source code of dpgen by
```bash
git clone https://github.com/deepmodeling/dpgen.git
```

DP-GEN offers multiple installation methods. It is recommend using easily methods like:
- offline packages: find them in [releases](https://github.com/deepmodeling/dpgen/releases/),
- pip: use `pip install dpgen`, see [dpgen-PyPI](https://pypi.org/project/dpgen/)
- conda: use `conda install -c deepmodeling dpgen`, see [dpgen-conda](https://anaconda.org/deepmodeling/dpgen)
DP-GEN only supports Python 3.9 and above. You can use one of the following methods to install DP-GEN:

- Install via pip: `pip install dpgen`
- Install via conda: `conda install -c conda-forge dpgen``
- Install from source code: `git clone https://github.com/deepmodeling/dpgen && pip install ./dpgen`

To test if the installation is successful, you may execute

```bash
dpgen -h
```
or just
```
dpgen
```

## Use DP-GEN

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