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gromacs: 2024.5 -> 2025.0

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This commit is contained in:
Markus Kowalewski
2025-02-15 19:18:48 +01:00
parent 20099a8e9e
commit d2239872cc
3 changed files with 39 additions and 3 deletions
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pkgs/applications/science/molecular-dynamics/gromacs/default.nix
+3 -3
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@@ -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-${source.version}
pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig.patch → pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig-2024.patch
View File
pkgs/applications/science/molecular-dynamics/gromacs/pkgconfig-2025.patch
+36
View File
@@ -0,0 +1,36 @@
diff --git a/src/external/muparser/muparser.pc.in b/src/external/muparser/muparser.pc.in
index 646787cb53..d26e84de8f 100644
--- a/src/external/muparser/muparser.pc.in
+++ b/src/external/muparser/muparser.pc.in
@@ -1,11 +1,9 @@
-prefix=@CMAKE_INSTALL_PREFIX@
-exec_prefix=${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