From 8c6ee4fe16c5bc117e017ae1066a2f1c36949130 Mon Sep 17 00:00:00 2001
From: "R. RyanTM" <ryantm-bot@ryantm.com>
Date: Mon, 7 Oct 2019 02:48:46 -0700
Subject: gromacs: 2019.3 -> 2019.4

Semi-automatic update generated by
https://github.com/ryantm/nixpkgs-update tools. This update was made
based on information from
https://repology.org/metapackage/gromacs/versions
---
 pkgs/applications/science/molecular-dynamics/gromacs/default.nix | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

(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 d00b59307c52..a2d3722cde9f 100644
--- a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
+++ b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
@@ -8,11 +8,11 @@
 
 
 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]
-- 
cgit 1.4.1


From ea45dc1053d560d8b3b1e2a386a0a014b4b60b4a Mon Sep 17 00:00:00 2001
From: Markus Kowalewski <markus.kowalewski@fysik.su.se>
Date: Mon, 7 Oct 2019 13:03:13 +0200
Subject: gromacs: add perl to buildInputs

---
 .../science/molecular-dynamics/gromacs/default.nix    | 19 ++++++++++---------
 1 file changed, 10 insertions(+), 9 deletions(-)

(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 a2d3722cde9f..d720f5ea0787 100644
--- a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
+++ b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix
@@ -1,9 +1,9 @@
-
-{ stdenv, fetchurl, cmake,
-  singlePrec ? true,
-  mpiEnabled ? false,
-  fftw,
-  openmpi
+{ stdenv, fetchurl, cmake
+, singlePrec ? true
+, mpiEnabled ? false
+, fftw
+, openmpi
+, perl
 }:
 
 
@@ -15,13 +15,14 @@ stdenv.mkDerivation {
     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" }
-- 
cgit 1.4.1