From 0d909b9c489c7fcf3c2ee32e9e11cc130460a305 Mon Sep 17 00:00:00 2001 From: Phillip Seeber Date: Wed, 18 Feb 2026 12:03:28 +0100 Subject: [PATCH 1/3] jkqtplotter: 5.0.0-unstable-2025-10-13 -> 5.0.0-unstable-2025-12-26 --- pkgs/development/libraries/jkqtplotter/default.nix | 13 ++++++------- pkgs/top-level/all-packages.nix | 2 +- 2 files changed, 7 insertions(+), 8 deletions(-) diff --git a/pkgs/development/libraries/jkqtplotter/default.nix b/pkgs/development/libraries/jkqtplotter/default.nix index 8699da76be4b..5a9d3440c2a4 100644 --- a/pkgs/development/libraries/jkqtplotter/default.nix +++ b/pkgs/development/libraries/jkqtplotter/default.nix @@ -4,28 +4,27 @@ fetchFromGitHub, fetchpatch, cmake, - qttools, - wrapQtAppsHook, + qt6, }: stdenv.mkDerivation (finalAttrs: { pname = "jkqtplotter"; - version = "5.0.0-unstable-2025-10-13"; + version = "5.0.0-unstable-2025-12-26"; src = fetchFromGitHub { owner = "jkriege2"; repo = "JKQtPlotter"; - rev = "d243218119b1632987df26baea0d4bc6ccdee533"; - hash = "sha256-fLkZGl4LYr9zdGjxxhcU6IZkpXV/Sex4TC9DFPyw43M="; + rev = "ff89c53057ab15ac6dd7b9ebfd6713cef0ce9676"; + hash = "sha256-rx1TWDAXHFo+LgylfkPqWIiHAJ9FKsQ4s9QSFHiBHC8="; }; nativeBuildInputs = [ cmake - wrapQtAppsHook + qt6.wrapQtAppsHook ]; buildInputs = [ - qttools + qt6.qttools ]; meta = { diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix index 70ef90e6905b..3c13c373c0a9 100644 --- a/pkgs/top-level/all-packages.nix +++ b/pkgs/top-level/all-packages.nix @@ -2693,7 +2693,7 @@ with pkgs; jl = haskellPackages.jl; - jkqtplotter = libsForQt5.callPackage ../development/libraries/jkqtplotter { }; + jkqtplotter = callPackage ../development/libraries/jkqtplotter { }; jpylyzer = with python3Packages; toPythonApplication jpylyzer; From ad3566c03329a7a10bf444661aefaf13ff0aa864 Mon Sep 17 00:00:00 2001 From: Phillip Seeber Date: Wed, 18 Feb 2026 12:04:25 +0100 Subject: [PATCH 2/3] avogadrolibs: 1.102.1 -> 1.103.0 --- .../chemistry/avogadrolibs/default.nix | 19 +++++++++---------- pkgs/top-level/all-packages.nix | 2 +- 2 files changed, 10 insertions(+), 11 deletions(-) diff --git a/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix b/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix index 632fd2994749..0ac82bdacfb7 100644 --- a/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix +++ b/pkgs/development/libraries/science/chemistry/avogadrolibs/default.nix @@ -13,8 +13,7 @@ libarchive, libmsym, jkqtplotter, - qttools, - wrapQtAppsHook, + qt6, }: let @@ -29,32 +28,32 @@ let moleculesRepo = fetchFromGitHub { owner = "OpenChemistry"; repo = "molecules"; - tag = "1.102.1"; + tag = "1.103.0"; hash = "sha256-hMLf0gYYnQpjSGKcPy4tihNbmpRR7UxnXF/hyhforgI="; }; crystalsRepo = fetchFromGitHub { owner = "OpenChemistry"; repo = "crystals"; - tag = "1.102.1"; + tag = "1.103.0"; hash = "sha256-WhzFldaOt/wJy1kk+ypOkw1OYFT3hqD7j5qGdq9g+IY="; }; fragmentsRepo = fetchFromGitHub { owner = "OpenChemistry"; repo = "fragments"; - tag = "1.102.1"; - hash = "sha256-x10jGl3lAEfm8OxUZJnjXRJCQg8RLQZTstjwnt5B2bw="; + tag = "1.103.0"; + hash = "sha256-jH8k+qPlyU3Tset63uxrDlMFLdcWh8JhJoe5sl1pJ2E="; }; in stdenv.mkDerivation (finalAttrs: { pname = "avogadrolibs"; - version = "1.102.1"; + version = "1.103.0"; src = fetchFromGitHub { owner = "OpenChemistry"; repo = "avogadrolibs"; tag = finalAttrs.version; - hash = "sha256-RmGRdCy1ubwAkEJlfldscR84NLOMBx33OdHdcq1R1gg="; + hash = "sha256-2SuSNaZnY3LXcUuGboc8ZRCCeoClENoYtWmNNahdor4="; }; postUnpack = '' @@ -65,7 +64,7 @@ stdenv.mkDerivation (finalAttrs: { nativeBuildInputs = [ cmake - wrapQtAppsHook + qt6.wrapQtAppsHook pythonWP ]; @@ -79,7 +78,7 @@ stdenv.mkDerivation (finalAttrs: { libarchive libmsym jkqtplotter - qttools + qt6.qttools ]; # Fix the broken CMake files to use the correct paths diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix index 3c13c373c0a9..50f47e3d5530 100644 --- a/pkgs/top-level/all-packages.nix +++ b/pkgs/top-level/all-packages.nix @@ -11852,7 +11852,7 @@ with pkgs; ### SCIENCE/CHEMISTY - avogadrolibs = libsForQt5.callPackage ../development/libraries/science/chemistry/avogadrolibs { }; + avogadrolibs = callPackage ../development/libraries/science/chemistry/avogadrolibs { }; molequeue = libsForQt5.callPackage ../development/libraries/science/chemistry/molequeue { }; From 862770f386b152b4bb3bfea79a3bac1ad6c6d7c0 Mon Sep 17 00:00:00 2001 From: Phillip Seeber Date: Wed, 18 Feb 2026 12:04:44 +0100 Subject: [PATCH 3/3] avogadro2: 1.102.1 -> 1.103.0 --- .../science/chemistry/avogadro2/default.nix | 17 +++++++---------- pkgs/top-level/all-packages.nix | 2 +- 2 files changed, 8 insertions(+), 11 deletions(-) diff --git a/pkgs/applications/science/chemistry/avogadro2/default.nix b/pkgs/applications/science/chemistry/avogadro2/default.nix index 0ab95960455c..26778014e84f 100644 --- a/pkgs/applications/science/chemistry/avogadro2/default.nix +++ b/pkgs/applications/science/chemistry/avogadro2/default.nix @@ -5,12 +5,10 @@ cmake, eigen, avogadrolibs, - molequeue, hdf5, jkqtplotter, openbabel, - qttools, - wrapQtAppsHook, + qt6, mesa, }: @@ -18,20 +16,20 @@ let avogadroI18N = fetchFromGitHub { owner = "OpenChemistry"; repo = "avogadro-i18n"; - tag = "1.102.1"; - hash = "sha256-doY+AWJ0GiE6VsTolgmFIRcRVl52lTgwNJLpXgVQ57c="; + tag = "1.103.0"; + hash = "sha256-gdr0Ed0UWjQB0LQq+6RvlAb8ZNFQAjV9mrgFLePG+CM="; }; in stdenv.mkDerivation (finalAttrs: { pname = "avogadro2"; - version = "1.102.1"; + version = "1.103.0"; src = fetchFromGitHub { owner = "OpenChemistry"; repo = "avogadroapp"; rev = finalAttrs.version; - hash = "sha256-nBkOiw6JO/cG1Ob9gw7Tt/076OoRaRRmDc/a9YAfZCA="; + hash = "sha256-nmvK3R966Xv2Xs5wXDh/8itIZLIRqbXHFe8dffFiI+s="; }; postUnpack = '' @@ -40,16 +38,15 @@ stdenv.mkDerivation (finalAttrs: { nativeBuildInputs = [ cmake - wrapQtAppsHook + qt6.wrapQtAppsHook ]; buildInputs = [ avogadrolibs - molequeue eigen hdf5 jkqtplotter - qttools + qt6.qttools ]; propagatedBuildInputs = [ openbabel ]; diff --git a/pkgs/top-level/all-packages.nix b/pkgs/top-level/all-packages.nix index 50f47e3d5530..b504ccba92bf 100644 --- a/pkgs/top-level/all-packages.nix +++ b/pkgs/top-level/all-packages.nix @@ -11856,7 +11856,7 @@ with pkgs; molequeue = libsForQt5.callPackage ../development/libraries/science/chemistry/molequeue { }; - avogadro2 = libsForQt5.callPackage ../applications/science/chemistry/avogadro2 { }; + avogadro2 = callPackage ../applications/science/chemistry/avogadro2 { }; libxc_7 = pkgs.libxc.override { version = "7.0.0"; };