diff --git a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix index 31d4b31dc56c..031b996a2b87 100644 --- a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix +++ b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix @@ -20,7 +20,7 @@ cpuAcceleration ? null, }: -# CUDA is only implemented for single precission +# CUDA is only implemented for single precision assert enableCuda -> singlePrec; let diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix index 2faee7e207fb..b0bb4beb919c 100644 --- a/pkgs/top-level/all-packages.nix +++ b/pkgs/top-level/all-packages.nix @@ -13644,6 +13644,7 @@ with pkgs; gromacsDouble = lowPrio ( gromacs.override { singlePrec = false; + enableCuda = false; # CUDA is only implemented for single precision fftw = fftw; } ); @@ -13651,6 +13652,7 @@ with pkgs; gromacsDoubleMpi = lowPrio ( gromacs.override { singlePrec = false; + enableCuda = false; # CUDA is only implemented for single precision enableMpi = true; fftw = fftw; }