diff --git a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix index 5867656b2cbc..a62e716248e0 100644 --- a/pkgs/applications/science/molecular-dynamics/gromacs/default.nix +++ b/pkgs/applications/science/molecular-dynamics/gromacs/default.nix @@ -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-${source.version} diff --git a/pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig.patch b/pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig-2024.patch similarity index 100% rename from pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig.patch rename to pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig-2024.patch diff --git a/pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig-2025.patch b/pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig-2025.patch new file mode 100644 index 000000000000..f5f5e117ed24 --- /dev/null +++ b/pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig-2025.patch @@ -0,0 +1,36 @@ +diff --git a/src/external/muparser/muparser.pc.in b/src/external/muparser/muparser.pc.in +index 646787cb53..d26e84de8f 100644 +--- a/src/external/muparser/muparser.pc.in ++++ b/src/external/muparser/muparser.pc.in +@@ -1,11 +1,9 @@ +-prefix=@CMAKE_INSTALL_PREFIX@ +-exec_prefix=${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