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improve conda installation in the documentation #1808

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Jul 4, 2022
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improve conda installation in the documentation #1808

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11 changes: 8 additions & 3 deletions doc/install/easy-install.md
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Original file line number Diff line number Diff line change
Expand Up @@ -19,23 +19,28 @@ Some packages are splited into two files due to size limit of GitHub. One may me
cat deepmd-kit-2.1.1-cuda11.6_gpu-Linux-x86_64.sh.0 deepmd-kit-2.1.1-cuda11.6_gpu-Linux-x86_64.sh.1 > deepmd-kit-2.1.1-cuda11.6_gpu-Linux-x86_64.sh
```

One may enable the environment using
```bash
conda activate /path/to/deepmd-kit
```

## 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 libdeepmd=*=*cpu lammps -c https://conda.deepmodeling.com
conda create -n deepmd deepmd-kit=*=*cpu libdeepmd=*=*cpu lammps -c https://conda.deepmodeling.com -c defaults
```

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 libdeepmd=*=*gpu lammps cudatoolkit=11.6 horovod -c https://conda.deepmodeling.com
conda create -n deepmd deepmd-kit=*=*gpu libdeepmd=*=*gpu lammps cudatoolkit=11.6 horovod -c https://conda.deepmodeling.com -c defaults
```
One could change the CUDA Toolkit version from `10.2` or `11.6`.

One may speficy the DeePMD-kit version such as `2.1.1` using
```bash
conda create -n deepmd deepmd-kit=2.1.1=*cpu libdeepmd=2.1.1=*cpu lammps horovod -c https://conda.deepmodeling.com
conda create -n deepmd deepmd-kit=2.1.1=*cpu libdeepmd=2.1.1=*cpu lammps horovod -c https://conda.deepmodeling.com -c defaults
```

One may enable the environment using
Expand Down