From 41bf6301129ed6714786d9c3481b3308155d4e11 Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Sun, 3 Jul 2022 23:35:52 -0400 Subject: [PATCH] improve conda installation in the documentation (#1808) Fix #1806. Fix #1792. Signed-off-by: Jinzhe Zeng --- doc/install/easy-install.md | 11 ++++++++--- 1 file changed, 8 insertions(+), 3 deletions(-) diff --git a/doc/install/easy-install.md b/doc/install/easy-install.md index baed662040..db7beab8db 100644 --- a/doc/install/easy-install.md +++ b/doc/install/easy-install.md @@ -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