Commit 2e0ae49b authored by Gaetan Lepage's avatar Gaetan Lepage
Browse files

gromacsDouble{,Mpi}: explicitly disable CUDA support (incompatible with singlePrec)

parent 7d80ac51

pkgs/applications/science/molecular-dynamics/gromacs/default.nix

+1 −1
Original line number Diff line number Diff line
@@ -20,7 +20,7 @@ 
  cpuAcceleration ? null,

}:



# CUDA is only implemented for single precission

# CUDA is only implemented for single precision

assert enableCuda -> singlePrec;



let

pkgs/top-level/all-packages.nix

+2 −0
Original line number Diff line number Diff line
@@ -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;

    }