diff --git a/pkgs/by-name/la/lammps/package.nix b/pkgs/by-name/la/lammps/package.nix index 0c6f9b7fcbec..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 ? { }, @@ -73,6 +75,9 @@ stdenv.mkDerivation (finalAttrs: { ] ++ lib.optionals packages.PYTHON [ python3 + ] + ++ lib.optionals packages.MPIIO [ + mpich ]; passthru = {