Compile LAMMPS libraries (liblamps_mpi.a, liblammps_serial.a) with MACE

[fcannizzaro-byte]

I successfully build LAMMPS with MACE for CPU using the instructions from here: https://mace-docs.readthedocs.io/en/latest/guide/lammps.html.

I need to compile these two libraries: liblamps_mpi.a, liblammps_serial.a. I have been looking into ./src/Makefile but could not find any option there. As reference, in the case of GAP using QUIP, I would do this:

make clean-all; make yes-manybody no-python yes-REAXFF yes-ml-quip serial mode=lib
make clean-all; make yes-manybody no-python yes-REAXFF yes-ml-quip  mpi    mode=lib

When compiling LAMMPS libraries, is there an option to add MACE?

[wcwitt]

Apologies, I don't fully understand the question. But you might start by reviewing the LAMMPS documentation on building with CMake. For example: https://docs.lammps.org/Build_basics.html#build-the-lammps-executable-and-library.