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 | 7 |
1 files changed, 4 insertions, 3 deletions
diff --git a/nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs/default.nix b/nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs/default.nix index 1daeeb81410a..b3a95034ca54 100644 --- a/nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs/default.nix +++ b/nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs/default.nix @@ -7,6 +7,7 @@ , perl , blas , lapack +, llvmPackages , mpi , cudaPackages , plumed @@ -40,8 +41,8 @@ let } else { - version = "2023.3"; - hash = "sha256-Tsj40MevdrE/j9FtuOLBIOdJ3kOa6VVNn2U/gS140cs="; + version = "2024"; + hash = "sha256-BNIm1SBmqLw6QuANYhPec3tOwpLiZwMGWST/AZVoAeI="; }; in stdenv.mkDerivation rec { @@ -77,7 +78,7 @@ in stdenv.mkDerivation rec { cudaPackages.cuda_cudart cudaPackages.libcufft cudaPackages.cuda_profiler_api - ]; + ] ++ lib.optional stdenv.isDarwin llvmPackages.openmp; propagatedBuildInputs = lib.optional enableMpi mpi; propagatedUserEnvPkgs = lib.optional enableMpi mpi; |