From 13eb3a2abeea3a30339bcd75575d08a6644987f1 Mon Sep 17 00:00:00 2001
From: Markus Kowalewski <markus.kowalewski@gmail.com>
Date: Fri, 2 Feb 2024 11:02:55 +0100
Subject: gromacs: fix build on Darwin, add OpenMP for Darwin

Gromacs enables OpenMP by default and fails its configure
if it can not build with OpenMP.
---
 pkgs/applications/science/molecular-dynamics/gromacs/default.nix | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

(limited to 'pkgs/applications/science')

diff --git a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
index 80eee27eb2d9..b3a95034ca54 100644
--- a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
+++ b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
@@ -7,6 +7,7 @@
 , perl
 , blas
 , lapack
+, llvmPackages
 , mpi
 , cudaPackages
 , plumed
@@ -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;
-- 
cgit 1.4.1