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amcadmus merged 1 commit into from
Aug 6, 2021
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update conda install documents #925

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10 changes: 5 additions & 5 deletions doc/install.md
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Expand Up @@ -21,26 +21,26 @@ Both CPU and GPU version offline packages are avaiable in [the Releases page](ht

Some packages are splited into two files due to size limit of GitHub. One may merge them into one after downloading:
```bash
cat deepmd-kit-2.0.0-cuda11.1_gpu-Linux-x86_64.sh.0 deepmd-kit-2.0.0-cuda11.1_gpu-Linux-x86_64.sh.1 > deepmd-kit-2.0.0-cuda11.1_gpu-Linux-x86_64.sh
cat deepmd-kit-2.0.0-cuda11.3_gpu-Linux-x86_64.sh.0 deepmd-kit-2.0.0-cuda11.3_gpu-Linux-x86_64.sh.1 > deepmd-kit-2.0.0-cuda11.3_gpu-Linux-x86_64.sh
```

### Install with conda
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.

One may create an environment that contains the CPU version of DeePMD-kit and LAMMPS:
```bash
conda create -n deepmd deepmd-kit=*=*cpu lammps-dp=*=*cpu -c https://conda.deepmodeling.org
conda create -n deepmd deepmd-kit=*=*cpu libdeepmd=*=*cpu lammps-dp -c https://conda.deepmodeling.org
```

Or one may want to create a GPU environment containing [CUDA Toolkit](https://docs.nvidia.com/deploy/cuda-compatibility/index.html#binary-compatibility__table-toolkit-driver):
```bash
conda create -n deepmd deepmd-kit=*=*gpu lammps-dp=*=*gpu cudatoolkit=11.1 -c https://conda.deepmodeling.org -c nvidia
conda create -n deepmd deepmd-kit=*=*gpu libdeepmd=*=*gpu lammps-dp cudatoolkit=11.3 -c https://conda.deepmodeling.org
```
One could change the CUDA Toolkit version from `11.1` to `10.1` or `10.0`.
One could change the CUDA Toolkit version from `10.1` or `11.3`.

One may speficy the DeePMD-kit version such as `2.0.0` using
```bash
conda create -n deepmd deepmd-kit=2.0.0=*cpu lammps-dp=2.0.0=*cpu -c https://conda.deepmodeling.org
conda create -n deepmd deepmd-kit=2.0.0=*cpu libdeepmd=2.0.0=*cpu lammps-dp=2.0.0 -c https://conda.deepmodeling.org
```

One may enable the environment using
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