diff options
Diffstat (limited to 'nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs/default.nix')
-rw-r--r-- | nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs/default.nix | 5 |
1 files changed, 5 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs/default.nix b/nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs/default.nix index b3a95034ca54..fe4d965b7778 100644 --- a/nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs/default.nix +++ b/nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs/default.nix @@ -19,6 +19,10 @@ , cpuAcceleration ? null }: + +# CUDA is only implemented for single precission +assert enableCuda -> singlePrec; + let inherit (cudaPackages.cudaFlags) cudaCapabilities dropDot; @@ -75,6 +79,7 @@ in stdenv.mkDerivation rec { lapack ] ++ lib.optional enableMpi mpi ++ lib.optionals enableCuda [ + cudaPackages.cuda_cccl cudaPackages.cuda_cudart cudaPackages.libcufft cudaPackages.cuda_profiler_api |