diff --git a/doc/install/install-from-source.md b/doc/install/install-from-source.md index 389cc78c9f..de1e304887 100644 --- a/doc/install/install-from-source.md +++ b/doc/install/install-from-source.md @@ -250,10 +250,23 @@ If you specify `-DUSE_TF_PYTHON_LIBS=FALSE`, you need to give the location where I assume you have installed the PyTorch (either Python or C++ interface) to `$torch_root`, then execute CMake ```bash -cmake -DENABLE_PYTORCH=TRUE -DCMAKE_PREFIX_PATH=$torch_root -DCMAKE_INSTALL_PREFIX=$deepmd_root .. +cmake -DENABLE_PYTORCH=TRUE -DCMAKE_PREFIX_PATH=$torch_root -DCMAKE_INSTALL_PREFIX=$deepmd_source_dir .. ``` -::: +Alternatively, one can use the installation scripts provided by DeepMD-kit by executing the following commands: +```bash +export CMAKE_PREFIX_PATH=$libtorch_root +``` +and if use GPU, add +```bash +export DP_VARIANT=cuda +``` +then + +```bash +$deepmd_source_dir/source/install/build_cc.sh +``` +::: :::: One may add the following arguments to `cmake`: diff --git a/doc/install/install-lammps.md b/doc/install/install-lammps.md index 5dbf690c67..112ef18d0d 100644 --- a/doc/install/install-lammps.md +++ b/doc/install/install-lammps.md @@ -5,7 +5,13 @@ There are two ways to install LAMMPS: the built-in mode and the plugin mode. The ## Install LAMMPS's DeePMD-kit module (built-in mode) Before following this section, [DeePMD-kit C++ interface](install-from-source.md) should have be installed. -DeePMD-kit provides a module for running MD simulations with LAMMPS. Now make the DeePMD-kit module for LAMMPS. +DeePMD-kit provides an easy installation script, one can simply run the following command to isntall LAMMPS: + +```bash +$deepmd_source_dir/source/install/build_lammps.sh +``` + +Alternatively, manual installation is also supported. DeePMD-kit provides a module for running MD simulations with LAMMPS. Now make the DeePMD-kit module for LAMMPS. ```bash cd $deepmd_source_dir/source/build