lammps: prefix: /home/user/sw/lammps description: Large-scale Atomic/Molecular Massively Parallel Simulator url: "https://www.lammps.org/" default-version: "22Jul2025.1" versions: "22Jul2025.1": description: Open MPI 4.1.4, Intel oneAPI 2023, MKL dependencies: - openmpi/4.1.4:intel-oneapi-2023