Merge pull request #70602 from r-ryantm/auto-update/gromacs

gromacs: 2019.3 -> 2019.4

1 files changed, 13 insertions, 12 deletions

diff --git a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
index d00b59307c52..d720f5ea0787 100644
--- a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
+++ b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
@@ -1,27 +1,28 @@
-
-{ stdenv, fetchurl, cmake,
-  singlePrec ? true,
-  mpiEnabled ? false,
-  fftw,
-  openmpi
+{ stdenv, fetchurl, cmake
+, singlePrec ? true
+, mpiEnabled ? false
+, fftw
+, openmpi
+, perl
 }:
 
 
 stdenv.mkDerivation {
-  name = "gromacs-2019.3";
+  name = "gromacs-2019.4";
 
   src = fetchurl {
-    url = "ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019.3.tar.gz";
-    sha256 = "0wvm6lj4hbasl2qkjcpicqjh7abxji4196dd2hmwlyivpycaa4a2";
+    url = "ftp://ftp.gromacs.org/pub/gromacs/gromacs-2019.4.tar.gz";
+    sha256 = "0rqqrbjrdhprlw2z6cqid59xwxfdx05ikvywppvdp8f8vzp6chxs";
   };
 
-  buildInputs = [cmake fftw]
+  nativeBuildInputs = [ cmake ];
+  buildInputs = [ fftw perl ]
   ++ (stdenv.lib.optionals mpiEnabled [ openmpi ]);
 
   cmakeFlags = ''
     ${if singlePrec then "-DGMX_DOUBLE=OFF" else "-DGMX_DOUBLE=ON -DGMX_DEFAULT_SUFFIX=OFF"}
-    ${if mpiEnabled then "-DGMX_MPI:BOOL=TRUE 
-                          -DGMX_CPU_ACCELERATION:STRING=SSE4.1 
+    ${if mpiEnabled then "-DGMX_MPI:BOOL=TRUE
+                          -DGMX_CPU_ACCELERATION:STRING=SSE4.1
                           -DGMX_OPENMP:BOOL=TRUE
                           -DGMX_THREAD_MPI:BOOL=FALSE"
                      else "-DGMX_MPI:BOOL=FALSE" }