Commit d2239872 authored by Markus Kowalewski's avatar Markus Kowalewski
Browse files

gromacs: 2024.5 -> 2025.0

parent 20099a8e

pkgs/applications/science/molecular-dynamics/gromacs/default.nix

+3 −3
Original line number Diff line number Diff line
@@ -45,8 +45,8 @@ let 
      }

    else

      {

        version = "2024.5";

        hash = "sha256-/s8GsYbN25Qs+0LujaXz6yuZk+aswKLxjRSsCwFEJPM=";

        version = "2025.0";

        hash = "sha256-onrTWmRilbvsEpq+aE2dA9Hi4L12sNYl6QVXRqrvroI=";

      };



in stdenv.mkDerivation rec {
@@ -58,7 +58,7 @@ in stdenv.mkDerivation rec { 
    inherit (source) hash;

  };



  patches = [ ./pkgconfig.patch ];

  patches = [ (if enablePlumed then ./pkgconfig-2024.patch else ./pkgconfig-2025.patch) ];



  postPatch = lib.optionalString enablePlumed ''

    plumed patch -p -e gromacs-${source.version}

pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig-2025.patch

0 → 100644
+36 −0
Original line number Diff line number Diff line 
diff --git a/src/external/muparser/muparser.pc.in b/src/external/muparser/muparser.pc.in

index 646787cb53..d26e84de8f 100644

--- a/src/external/muparser/muparser.pc.in

+++ b/src/external/muparser/muparser.pc.in

@@ -1,11 +1,9 @@

-prefix=@CMAKE_INSTALL_PREFIX@

-exec_prefix=${prefix}

-libdir=${prefix}/@CMAKE_INSTALL_LIBDIR@

-includedir=${prefix}/@CMAKE_INSTALL_INCLUDEDIR@

-

-Name: @PACKAGE_NAME@

-Description: Mathematical expressions parser library

-Version: @MUPARSER_VERSION@

-Requires:

-Libs: -L${libdir} -lmuparser

-Cflags: -I${includedir} @PKG_CONFIG_FLAGS@

+libdir=@CMAKE_INSTALL_FULL_LIBDIR@

+includedir=@CMAKE_INSTALL_FULL_INCLUDEDIR@

+

+Name: @PACKAGE_NAME@

+Description: Mathematical expressions parser library

+Version: @MUPARSER_VERSION@

+Requires:

+Libs: -L${libdir} -lmuparser

+Cflags: -I${includedir} @PKG_CONFIG_FLAGS@

diff --git a/src/gromacs/libgromacs.pc.cmakein b/src/gromacs/libgromacs.pc.cmakein

index af9b5a6dc0..5f58d549bf 100644

--- a/src/gromacs/libgromacs.pc.cmakein

+++ b/src/gromacs/libgromacs.pc.cmakein

@@ -1,5 +1,4 @@

-prefix=@CMAKE_INSTALL_PREFIX@

-libdir=${prefix}/@CMAKE_INSTALL_LIBDIR@

+libdir=@CMAKE_INSTALL_FULL_LIBDIR

 

 Name: libgromacs@GMX_LIBS_SUFFIX@

 Description: Gromacs library