lammps-user-pace

Installation:

Build with make

1. Clone the repository using https://github.com/ICAMS/lammps-user-pace.git or download the zip files from here.
2. copy USER-PACE directory from the cloned repository into lammps/src folder.
3. Include USER-PACE in the compilation by running make yes-user-pace from the lammps/src folder.
4. Compile lammps as usual, i.e. make serial or make mpi.

Build with cmake

1. Clone the repository using https://github.com/ICAMS/lammps-user-pace.git or download the zip files from here.

2. copy USER-PACE directory from the cloned repository into lammps/src folder.

3. Build LAMMPS using:

   cd lammps
   mkdir build
   cd build
   cmake -DCMAKE_BUILD_TYPE=Release -DPKG_USER-PACE=ON ../cmake 
   make
   

   Other configuration flags could be added, i.e. for MPI support"

   cmake -DCMAKE_BUILD_TYPE=Release -D BUILD_MPI=ON -DPKG_USER-PACE=ON ../cmake
   

   For more information see here.

Install using conda

LAMMPS package can be installed using conda by conda install -c conda-forge lammps. This distribution includes the USER-PACE package.