avogadro2: 1.101.0 -> 1.102.1 (#456472) (e4d34879) · Commits · nix / nixpkgs

pkgs/applications/science/chemistry/avogadro2/default.nix

+9 −7

Original line number	Diff line number	Diff line
		@@ -7,6 +7,7 @@
		avogadrolibs,
		molequeue,
		hdf5,
		jkqtplotter,
		openbabel,
		qttools,
		wrapQtAppsHook,
		@@ -17,20 +18,20 @@ let
		avogadroI18N = fetchFromGitHub {
		owner = "OpenChemistry";
		repo = "avogadro-i18n";
		tag = "1.101.0";
		hash = "sha256-3qFx/rc5xqfrLq3Kr5b/Rid2LR/gfP6uqhhATyQL6Y8=";
		tag = "1.102.1";
		hash = "sha256-doY+AWJ0GiE6VsTolgmFIRcRVl52lTgwNJLpXgVQ57c=";
		};

		in
		stdenv.mkDerivation rec {
		stdenv.mkDerivation (finalAttrs: {
		pname = "avogadro2";
		version = "1.101.0";
		version = "1.102.1";

		src = fetchFromGitHub {
		owner = "OpenChemistry";
		repo = "avogadroapp";
		rev = version;
		hash = "sha256-F8to1DyeyyhsivkXDB/KH10/7teVnsoSU/ZHIsNISqc=";
		rev = finalAttrs.version;
		hash = "sha256-nBkOiw6JO/cG1Ob9gw7Tt/076OoRaRRmDc/a9YAfZCA=";
		};

		postUnpack = ''
		@@ -47,6 +48,7 @@ stdenv.mkDerivation rec {
		molequeue
		eigen
		hdf5
		jkqtplotter
		qttools
		];

		@@ -62,4 +64,4 @@ stdenv.mkDerivation rec {
		inherit (mesa.meta) platforms;
		license = licenses.bsd3;
		};
		}
		})

0 → 100644

+37 −0

Original line number	Diff line number	Diff line
		{
		lib,
		stdenv,
		fetchFromGitHub,
		fetchpatch,
		cmake,
		qttools,
		wrapQtAppsHook,
		}:

		stdenv.mkDerivation (finalAttrs: {
		pname = "jkqtplotter";
		version = "5.0.0-unstable-2025-10-13";

		src = fetchFromGitHub {
		owner = "jkriege2";
		repo = "JKQtPlotter";
		rev = "d243218119b1632987df26baea0d4bc6ccdee533";
		hash = "sha256-fLkZGl4LYr9zdGjxxhcU6IZkpXV/Sex4TC9DFPyw43M=";
		};

		nativeBuildInputs = [
		cmake
		wrapQtAppsHook
		];

		buildInputs = [
		qttools
		];

		meta = {
		description = "Qt plotting framework";
		maintainers = [ lib.maintainers.sheepforce ];
		homepage = "https://github.com/jkriege2/JKQtPlotter";
		license = lib.licenses.lgpl21Plus;
		};
		})

+10 −8

Original line number	Diff line number	Diff line
		@@ -12,6 +12,7 @@
		python3,
		libarchive,
		libmsym,
		jkqtplotter,
		qttools,
		wrapQtAppsHook,
		}:
		@@ -28,32 +29,32 @@ let
		moleculesRepo = fetchFromGitHub {
		owner = "OpenChemistry";
		repo = "molecules";
		tag = "1.101.0";
		tag = "1.102.1";
		hash = "sha256-hMLf0gYYnQpjSGKcPy4tihNbmpRR7UxnXF/hyhforgI=";
		};
		crystalsRepo = fetchFromGitHub {
		owner = "OpenChemistry";
		repo = "crystals";
		tag = "1.101.0";
		tag = "1.102.1";
		hash = "sha256-WhzFldaOt/wJy1kk+ypOkw1OYFT3hqD7j5qGdq9g+IY=";
		};
		fragmentsRepo = fetchFromGitHub {
		owner = "OpenChemistry";
		repo = "fragments";
		tag = "1.101.0";
		tag = "1.102.1";
		hash = "sha256-x10jGl3lAEfm8OxUZJnjXRJCQg8RLQZTstjwnt5B2bw=";
		};

		in
		stdenv.mkDerivation rec {
		stdenv.mkDerivation (finalAttrs: {
		pname = "avogadrolibs";
		version = "1.101.0";
		version = "1.102.1";

		src = fetchFromGitHub {
		owner = "OpenChemistry";
		repo = "avogadrolibs";
		tag = version;
		hash = "sha256-0DJU40Etse90rdX8xByjQeUiBsJtEQozZQQsWsc4vxk=";
		tag = finalAttrs.version;
		hash = "sha256-RmGRdCy1ubwAkEJlfldscR84NLOMBx33OdHdcq1R1gg=";
		};

		postUnpack = ''
		@@ -77,6 +78,7 @@ stdenv.mkDerivation rec {
		glew
		libarchive
		libmsym
		jkqtplotter
		qttools
		];

		@@ -96,4 +98,4 @@ stdenv.mkDerivation rec {
		platforms = platforms.linux;
		license = licenses.gpl2Only;
		};
		}
		})

+2 −0

Original line number	Diff line number	Diff line
		@@ -3123,6 +3123,8 @@ with pkgs;

		jl = haskellPackages.jl;

		jkqtplotter = libsForQt5.callPackage ../development/libraries/jkqtplotter { };

		joplin = nodePackages.joplin;

		jpylyzer = with python3Packages; toPythonApplication jpylyzer;