diff --git a/pkgs/by-name/la/lammps/package.nix b/pkgs/by-name/la/lammps/package.nix index 40ed6f08f348..d25664c8f85e 100644 --- a/pkgs/by-name/la/lammps/package.nix +++ b/pkgs/by-name/la/lammps/package.nix @@ -8,6 +8,7 @@ blas, lapack, python3, + mpich, cmake, autoAddDriverRunpath, pkg-config, @@ -39,6 +40,7 @@ SRD = true; REAXFF = true; PYTHON = true; + MPIIO = true; }, # Extra cmakeFlags to add as "-D${attr}=${value}" extraCmakeFlags ? { }, @@ -71,7 +73,12 @@ stdenv.mkDerivation (finalAttrs: { # GPU_API=cuda, and it doesn't users that don't enable the GPU package. autoAddDriverRunpath ] - ++ lib.optionals packages.PYTHON [ python3 ]; + ++ lib.optionals packages.PYTHON [ + python3 + ] + ++ lib.optionals packages.MPIIO [ + mpich + ]; passthru = { inherit packages;