{avogadro2,avogadrolibs,molequeue}: migrate to by-name (#467984)

This commit is contained in:
Weijia Wang
2026-04-13 21:33:32 +00:00
committed by GitHub
4 changed files with 10 additions and 14 deletions
@@ -3,27 +3,27 @@
stdenv,
fetchFromGitHub,
cmake,
qttools,
wrapQtAppsHook,
qt5,
nix-update-script,
}:
stdenv.mkDerivation rec {
stdenv.mkDerivation (finalAttrs: {
pname = "molequeue";
version = "0.9.0";
src = fetchFromGitHub {
owner = "OpenChemistry";
repo = "molequeue";
rev = version;
tag = finalAttrs.version;
hash = "sha256-+NoY8YVseFyBbxc3ttFWiQuHQyy1GN8zvV1jGFjmvLg=";
};
nativeBuildInputs = [
cmake
wrapQtAppsHook
qt5.wrapQtAppsHook
];
buildInputs = [ qttools ];
buildInputs = [ qt5.qttools ];
postPatch = ''
substituteInPlace CMakeLists.txt \
@@ -33,9 +33,11 @@ stdenv.mkDerivation rec {
# Fix the broken CMake files to use the correct paths
postInstall = ''
substituteInPlace $out/lib/cmake/molequeue/MoleQueueConfig.cmake \
--replace "$out/" ""
--replace-fail "$out/" ""
'';
passthru.updateScript = nix-update-script { };
meta = {
description = "Desktop integration of high performance computing resources";
mainProgram = "molequeue";
@@ -44,4 +46,4 @@ stdenv.mkDerivation rec {
platforms = lib.platforms.linux;
license = lib.licenses.bsd3;
};
}
})
-6
View File
@@ -11389,12 +11389,6 @@ with pkgs;
### SCIENCE/CHEMISTY
avogadrolibs = callPackage ../development/libraries/science/chemistry/avogadrolibs { };
molequeue = libsForQt5.callPackage ../development/libraries/science/chemistry/molequeue { };
avogadro2 = callPackage ../applications/science/chemistry/avogadro2 { };
libxc_7 = pkgs.libxc.override { version = "7.0.0"; };
molbar = with python3Packages; toPythonApplication molbar;