colin/nixpkgs
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

gromacs: fix build on Darwin, add OpenMP for Darwin

Browse Source 
Gromacs enables OpenMP by default and fails its configure
if it can not build with OpenMP.
This commit is contained in:
Markus Kowalewski 2024-02-02 11:02:55 +01:00
parent 5071e8ca11
commit 13eb3a2abe
1 changed files with 2 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

3
pkgs/applications/science/molecular-dynamics/gromacs/default.nix
View File

@ -7,6 +7,7 @@
, perl , perl
, blas , blas
, lapack , lapack
, llvmPackages
, mpi , mpi
, cudaPackages , cudaPackages
, plumed , plumed
@ -77,7 +78,7 @@ in stdenv.mkDerivation rec {
cudaPackages.cuda_cudart cudaPackages.cuda_cudart
cudaPackages.libcufft cudaPackages.libcufft
cudaPackages.cuda_profiler_api cudaPackages.cuda_profiler_api
]; ] ++ lib.optional stdenv.isDarwin llvmPackages.openmp;
propagatedBuildInputs = lib.optional enableMpi mpi; propagatedBuildInputs = lib.optional enableMpi mpi;
propagatedUserEnvPkgs = lib.optional enableMpi mpi; propagatedUserEnvPkgs = lib.optional enableMpi mpi;