diff --git a/doc/install/build-conda.md b/doc/install/build-conda.md index 14dee5c263..e54849f75d 100644 --- a/doc/install/build-conda.md +++ b/doc/install/build-conda.md @@ -6,23 +6,3 @@ The official channel has been deprecated since 3.0.0. Refer to [conda-forge documentation](https://conda-forge.org/docs/maintainer/adding_pkgs/) for how to contribute and build packages locally. ::: :::: - -One may want to keep both convenience and personalization of the DeePMD-kit. To achieve this goal, one can consider building conda packages. We provide building scripts in [deepmd-kit-recipes organization](https://github.com/deepmd-kit-recipes/). These building tools are driven by [conda-build](https://github.com/conda/conda-build) and [conda-smithy](https://github.com/conda-forge/conda-smithy). - -For example, if one wants to turn on `MPIIO` package in LAMMPS, go to [`lammps-feedstock`](https://github.com/deepmd-kit-recipes/lammps-feedstock/) repository and modify `recipe/build.sh`. `-D PKG_MPIIO=OFF` should be changed to `-D PKG_MPIIO=ON`. Then go to the main directory and execute - -```sh -./build-locally.py -``` - -This requires that Docker has been installed. After the building, the packages will be generated in `build_artifacts/linux-64` and `build_artifacts/noarch`, and then one can install then executing - -```sh -conda create -n deepmd lammps -c file:///path/to/build_artifacts -c https://conda.deepmodeling.com -c nvidia -``` - -One may also upload packages to one's Anaconda channel, so they can be installed on other machines: - -```sh -anaconda upload /path/to/build_artifacts/linux-64/*.tar.bz2 /path/to/build_artifacts/noarch/*.tar.bz2 -``` diff --git a/doc/install/easy-install.md b/doc/install/easy-install.md index 6f9851addb..b892463caf 100644 --- a/doc/install/easy-install.md +++ b/doc/install/easy-install.md @@ -60,32 +60,6 @@ Maintainers will build packages in the conda-forge organization together with ot ::: :::: -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 -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 -c defaults -``` - -One could change the CUDA Toolkit version from `10.2` or `11.6`. - -One may specify the DeePMD-kit version such as `2.2.9` using - -```bash -conda create -n deepmd deepmd-kit=2.2.9=*cpu libdeepmd=2.2.9=*cpu lammps horovod -c https://conda.deepmodeling.com -c defaults -``` - -One may enable the environment using - -```bash -conda activate deepmd -``` - ## Install with docker A docker for installing the DeePMD-kit is available [here](https://github.com/deepmodeling/deepmd-kit/pkgs/container/deepmd-kit).