build: Add QuickPlot into QML GUI (#1963)

.github/workflows/benchmark.yml

@@ -26,6 +26,7 @@ jobs:
         run: |
           sudo apt-get update -q
           sudo apt-get install ninja-build python3-setuptools uuid uuid-dev
+          git submodule update --init --recursive
       - name: Install Conan
         run: |
           sudo pip3 install wheel

.github/workflows/build/linux/action.yml

@@ -45,10 +45,45 @@ runs:
     run: |
       set -ex
 
+      ### Begin unholy hack
+      ###
+      ### For reasons unknown, when nix is run under GitHub actions,
+      ### it ignores the submodules flag, meaning that flakes with
+      ### submodules cannot be built
+      ###
+      ### As a blasphemous workaround, I've added a step to bring the
+      ### submodule into the main repo.  Hopefully, submodules are
+      ### made the default flake behaviour in the upcoming release,
+      ### this will no longer be necessary.  If not, we might have to
+      ### make the submodule an extra input to the flake, but that
+      ### will take some extra time.
+      ###
+      ### If you are reading this comment in 2026, try removing this
+      ### entire hack and see if the problem fixed itself.  You may
+      ### also need to update the action that installs nix in the
+      ### first place.  If that doesn't solve the problem, then we
+      ### should go ahead and just make the submodule a flake input.
+
+      git submodule update --init --recursive
+      git config --global user.email "[email protected]"
+      git config --global user.name "GitHub Actions"
+      git rm .gitmodules
+
+      cp -r QuickPlot QuickPlot.bak
+      rm -rf QuickPlot.bak/.git
+      git rm -r QuickPlot
+      git commit -m "Kill submodule"
+
+      mv QuickPlot.bak QuickPlot
+      git add QuickPlot
+      git commit -m "Resurrect submodule"
+
+      ### End unholy hack
+
       # Build Singularity target
       target=${{ inputs.target }}
       singularityTarget=${target/dissolve/singularity}
-      nix build -L .#$singularityTarget
+      nix build -L ".?submodules=1#$singularityTarget"
 
       # Assemble artifacts
       mkdir packages-sif

.github/workflows/build/osx/action.yml

@@ -48,7 +48,7 @@ runs:
     shell: bash
     run: |
       export PATH="$(python3 -m site --user-base)/bin:$PATH"
-      aqt install-qt --outputdir ${{ runner.temp }}/qt mac desktop ${{ env.qtVersion }}
+      aqt install-qt --outputdir ${{ runner.temp }}/qt mac desktop ${{ env.qtVersion }} -m all
 
   #
   # Main Build
@@ -68,6 +68,7 @@ runs:
     shell: bash
     run: |
       set -ex
+      git submodule update --init --recursive
 
       # Setup paths
       export PATH="$(python3 -m site --user-base)/bin:$PATH"

.github/workflows/build/windows/action.yml

@@ -40,10 +40,10 @@ runs:
       path: ${{ runner.temp }}\qt
 
   - name: Install Qt
-    if: ${{ steps.cache-qt.outputs.cache-hit != 'true' }}
+    # if: ${{ steps.cache-qt.outputs.cache-hit != 'true' }}
     shell: bash
     run: |
-      aqt install-qt --outputdir ${RUNNER_TEMP}/qt windows desktop ${{ env.qtVersion }} win64_msvc2019_64
+      aqt install-qt --outputdir ${RUNNER_TEMP}/qt windows desktop ${{ env.qtVersion }} win64_msvc2019_64 -m all
 
   - name: Setup MSVC Compiler
     uses: ilammy/msvc-dev-cmd@v1
@@ -150,6 +150,7 @@ runs:
     if: ${{ inputs.cacheOnly == 'false' }}
     shell: bash
     run: |
+      git submodule update --init --recursive
       # Setup environment
       Qt6_DIR="${RUNNER_TEMP}\qt\${{ env.qtVersion }}\msvc2019_64"
       ANTLR_EXE="${RUNNER_TEMP}\antlr-${{ env.antlrVersion }}-complete.jar"

.github/workflows/get-nix/action.yml

@@ -13,5 +13,7 @@ runs:
     uses: cachix/install-nix-action@v25
     with:
       nix_path: nixpkgs=channel:nixos-unstable
-      extra_nix_config: "system-features = nixos-test benchmark big-parallel kvm"
+      extra_nix_config: |
+        system-features = nixos-test benchmark big-parallel kvm
+        experimental-features = configurable-impure-env nix-command flakes
 

.gitmodules

@@ -0,0 +1,3 @@
+[submodule "QuickPlot"]
+	path = QuickPlot
+	url = https://github.com/disorderedmaterials/QuickPlot.git

CMakeLists.txt

@@ -118,6 +118,11 @@ if(GUI)
                QmlModels
                QmlTools
                Quick
+               Quick3D
+               3DCore
+               3DExtras
+               3DRender
+               3DExtras
                QuickWidgets
                QuickControls2
                REQUIRED
@@ -262,7 +267,17 @@ if(GUI)
   )
 
   # Dissolve QML GUI
-  qt_add_executable(${qmlgui_target_name} MACOSX_BUNDLE ${SRCS}/dissolve-gui-qml.cpp ${SRCS}/gui-qml/resources.qrc)
+  qt_add_executable(${qmlgui_target_name} MACOSX_BUNDLE ${SRCS}/dissolve-gui-qml.cpp)
+  set_source_files_properties(${SRCS}/gui-qml/qml/DissolveMain.qml PROPERTIES QT_RESOURCE_ALIAS qml/DissolveMain.qml)
+  qt_add_qml_module(
+    ${qmlgui_target_name}
+    VERSION
+    0.1
+    URI
+    Dissolve
+    QML_FILES
+    ${SRCS}/gui-qml/qml/DissolveMain.qml
+  )
 
   # Set project-local include directories for target (we expect to need less of these dependencies over time)
   target_include_directories(
@@ -339,6 +354,8 @@ target_link_libraries(
 # Build GUI target executables
 if(GUI)
 
+  add_subdirectory(QuickPlot/src)
+
   # Main Dissolve GUI
   target_link_libraries(
     ${gui_target_name}
@@ -371,9 +388,9 @@ if(GUI)
     ${qmlgui_target_name}
     PUBLIC ${WHOLE_ARCHIVE_FLAG} ${BASIC_LINK_LIBS}
            # Module gui libs
-           gui-qml ${NO_WHOLE_ARCHIVE_FLAG}
+           gui-qml ${NO_WHOLE_ARCHIVE_FLAG} QuickPlotplugin
     PRIVATE # External libs
-            Qt6::Qml ${CORE_LINK_LIBS} ${THREADING_LINK_LIBS}
+            Qt6::Quick3D Qt6::Qml ${CORE_LINK_LIBS} ${THREADING_LINK_LIBS}
   )
 
   qt_generate_deploy_qml_app_script(

flake.nix

@@ -48,8 +48,10 @@
           libGL.dev
           libglvnd
           libglvnd.dev
+          qt6.qt3d
           qt6.qtbase
           qt6.qtbase.dev
+          qt6.qtquick3d
           qt6.qtsvg
           qt6.qtshadertools
           qt6.qttools
@@ -70,13 +72,7 @@
           pkgs.stdenv.mkDerivation ({
             inherit version;
             pname = exe-name mpi gui;
-            src = builtins.path {
-              path = ./.;
-              name = "dissolve-src";
-              filter = path: type:
-                type != "directory" || builtins.baseNameOf path
-                != ".azure-pipelines" || builtins.baseNameOf path != "web";
-            };
+            src = ./. ;
             buildInputs = base_libs pkgs ++ pkgs.lib.optional mpi pkgs.openmpi
               ++ pkgs.lib.optionals gui (gui_libs system pkgs)
               ++ pkgs.lib.optionals checks (check_libs pkgs)
@@ -189,7 +185,8 @@
             }:${
               pkgs.lib.makeLibraryPath [ pkgs.libglvnd ]
             }"''${LD_LIBRARY_PATH:+:$LD_LIBRARY_PATH}"
-            export QT_PLUGIN_PATH="${pkgs.qt6.qtsvg}/lib/qt-6/plugins:$QT_PLUGIN_PATH"
+            # export QT_PLUGIN_PATH="${pkgs.qt6.qt3d}/lib/qt-6/plugins:${pkgs.qt6.qtsvg}/lib/qt-6/plugins:$QT_PLUGIN_PATH"
+            export QT_PLUGIN_PATH="${pkgs.qt6.qtquick3d}/lib/qt-6/plugins:${pkgs.qt6.qt3d}/lib/qt-6/plugins:${pkgs.qt6.qtsvg}/lib/qt-6/plugins:$QT_PLUGIN_PATH"
           '';
 
           CMAKE_CXX_COMPILER_LAUNCHER =
@@ -198,8 +195,9 @@
             "${pkgs.ccache}/bin/ccache;${pkgs.distcc}/bin/distcc";
           CMAKE_CXX_FLAGS_DEBUG = "-g -O0";
           CXXL = "${pkgs.stdenv.cc.cc.lib}";
-          QML_IMPORT_PATH = "${pkgs.qt6.qtdeclarative}/lib/qt-6/qml/";
-          QML2_IMPORT_PATH = "${pkgs.qt6.qtdeclarative}/lib/qt-6/qml/";
+          Qt6Quick3D_DIR = "${pkgs.qt6.qtquick3d}/lib/";
+          QML_IMPORT_PATH = "${pkgs.qt6.qtquick3d}/lib/qt-6/qml:${pkgs.qt6.qtdeclarative}/lib/qt-6/qml/";
+          QML2_IMPORT_PATH = "$${pkgs.qt6.qtquick3d}/lib/qt-6/qml:{pkgs.qt6.qtdeclarative}/lib/qt-6/qml/";
         };
 
         apps = {

src/dissolve-gui-qml.cpp

@@ -30,7 +30,7 @@ int main(int args, char **argv)
     QGuiApplication app(args, argv);
 
     QQmlApplicationEngine engine;
-    const QUrl url(u"qrc:/main/qml/DissolveMain.qml"_qs);
+    const QUrl url(u"qrc:/Dissolve/qml/DissolveMain.qml"_qs);
 
     QObject::connect(
         &engine, &QQmlApplicationEngine::objectCreationFailed, &app, []() { QCoreApplication::exit(-1); },

src/gui-qml/qml/DissolveMain.qml

@@ -1,9 +1,16 @@
 import QtQuick
 import QtQuick.Controls
 import QtQuick.Layouts
+import QtQuick3D
+import QtQuick3D.Helpers
+import QtQuick.Controls
+import ProjectDissolve
+import "../../ProjectDissolve"
 
 ApplicationWindow {
     id: dissolveWindow
+    property vector3d scale: Qt.vector3d(Math.min(graphView.width / 2.5, graphView.height / 2.5), Math.min(graphView.width / 2.5, graphView.height / 2.5), 200)
+
     height: 743
     title: "Dissolve"
     visible: true
@@ -25,6 +32,77 @@ ApplicationWindow {
             width: implicitWidth
         }
     }
+    Node {
+        id: standAloneScene
+        DirectionalLight {
+            ambientColor: Qt.rgba(0.5, 0.5, 0.5, 1.0)
+            brightness: 1.0
+            eulerRotation.x: -25
+        }
+        ScatterModel {
+            id: plotLine
+            color: "red"
+            scale: dissolveWindow.scale
+            thickness: 0.1
+            xAxis: xAxis
+            yAxis: yAxis
+        }
+        LineModel {
+            color: "#006f6f"
+            scale: dissolveWindow.scale
+            thickness: 0.1
+            xAxis: xAxis
+            xs: [-1.0, -0.8, -0.6, -0.4, -0.2, 0, 0.2, 0.4, 0.6, 0.8, 1.0]
+            yAxis: yAxis
+            ys: [1.0, 0.64, 0.36, 0.16, 0.04, 0, 0.04, 0.16, 0.36, 0.64, 1.0]
+        }
+        AxisModel {
+            color: "black"
+            scl: dissolveWindow.scale
+
+            axis: Axis {
+                id: xAxis
+                direction: true
+                maximum: 2.0
+                minimum: -2.0
+                thickness: 0.01
+            }
+        }
+        AxisModel {
+            color: "black"
+            scl: dissolveWindow.scale
+
+            axis: Axis {
+                id: yAxis
+                direction: false
+                maximum: 2.0
+                minimum: -2.0
+                thickness: 0.01
+            }
+        }
+    }
+    View3D {
+        id: graphView
+        anchors.bottom: parent.bottom
+        anchors.left: parent.left
+        anchors.right: parent.right
+        anchors.top: tabBar.bottom
+        importScene: standAloneScene
+
+        MouseArea {
+            anchors.fill: parent
+
+            onWheel: function (event) {
+                xAxis.nudge(0.01 * event.pixelDelta.x);
+                yAxis.nudge(-0.01 * event.pixelDelta.y);
+            }
+        }
+
+        camera: OrthographicCamera {
+            id: cameraOrthographicLeft
+            z: 600
+        }
+    }
 
     menuBar: MenuBar {
         id: mainMenu

web/docs/userguide/developers/contributing.md

@@ -64,6 +64,7 @@ Resolving deltas: 100% (27682/27682), done.
 Checking out files: 100% (2309/2309), done.
 
 bob@linux:~> cd dissolve
+bob@linux:~> git submodule update --init --recursive
 bob@linux:~> ls
 
 AUTHORS     changeversion   commit        dissolve.kdev4  extra        NEWS    tests