Installing LAMMPS built-in mode USER-DEEPMD package with CMAKE

[kimiaGF]

I am trying to install LAMMPS with built-in deepmd, but I would prefer to use cmake (make -D PKG_NAME=yes) is there a way to do this? The documentation details installation with make but not cmake.

[njzjz]

You need to modify LAMMPS's CMake files. An example is given at https://github.com/conda-forge/lammps-feedstock/blob/294a97126e09e156f20cd61f3a952746e9cf303f/recipe/vcsgc_mtp_n2p2.patch

For how to Find DeePMD-kit from CMake, see https://docs.deepmodeling.com/projects/deepmd/en/master/development/cmake.html

[njzjz]

The documentation has been added in #2891.