chore: Rebase check

.github/workflows/_build_and_package.yml

@@ -10,9 +10,6 @@ on:
       qtVersion:
         type: string
         required: true
-      msvcVersion:
-        type: string
-        required: true
       osxRunner:
         type: string
         default: 'UNKNOWN'
@@ -59,7 +56,6 @@ jobs:
         qtVersion: ${{ inputs.qtVersion }}
         antlrVersion: ${{ inputs.antlrVersion }}
         conanHash: ${{ inputs.conanHash }}
-        msvcVersion: ${{ inputs.msvcVersion }}
         osxTargetDeploymentVersion: ${{ inputs.osxTargetDeploymentVersion }}
 
   BuildLinux:
@@ -86,28 +82,5 @@ jobs:
         nixHash: ${{ inputs.nixHash }}
         benchmark: ${{ inputs.benchmark }}
         publishBenchmarks: ${{ inputs.publishBenchmarks }}
-        msvcVersion: ${{ inputs.msvcVersion }}
         osxTargetDeploymentVersion: ${{ inputs.osxTargetDeploymentVersion }}
 
-  Package:
-    needs: Build
-    strategy:
-      fail-fast: false
-      matrix:
-        os: [ "${{ inputs.osxRunner }}", windows-latest ]
-    runs-on: ${{ matrix.os }}
-    steps:
-    - name: 'Download Source Tarfiles'
-      uses: actions/download-artifact@v4
-      with:
-        name: source
-
-    - name: 'Unpack Source'
-      shell: bash
-      run: tar -xvf dissolve-versioned-source.tar
-
-    - name: "Package (${{ matrix.os }})"
-      uses: "./.github/workflows/package"
-      with:
-        currentVersion: ${{ inputs.currentVersion }}
-        qtVersion: ${{ inputs.qtVersion }}

.github/workflows/_checkout.yml

@@ -4,12 +4,9 @@ description: Checks out the source and packages the source as an artifact for us
 on:
   workflow_call:
     inputs:
-      msvcVersion:
-        type: string
-        default: 14.41.17.11
       osxRunner:
         type: string
-        default: macos-15
+        default: macos-latest
       osxTargetDeploymentVersion:
         type: string
         default: 13.3
@@ -65,9 +62,6 @@ on:
       conanHash:
         description: "Hash of the current conanfile"
         value: ${{ jobs.Checkout.outputs.conanHash }}
-      msvcVersion:
-        description: "Version of MSVC required by the project"
-        value: ${{ jobs.Checkout.outputs.msvcVersion }}
       osxRunner:
         description: "Runner target for OSX"
         value: ${{ jobs.Checkout.outputs.osxRunner }}
@@ -85,7 +79,6 @@ jobs:
       currentVersionMinor: ${{ steps.authVersion.outputs.currentVersionMinor }}
       currentVersionPatch: ${{ steps.authVersion.outputs.currentVersionPatch }}
       currentShortHash: ${{ steps.authVersion.outputs.currentShortHash }}
-      msvcVersion: ${{ steps.versions.outputs.msvcVersion }}
       osxRunner: ${{ steps.versions.outputs.osxRunner }}
       osxTargetDeploymentVersion: ${{ steps.versions.outputs.osxTargetDeploymentVersion }}
       qtVersion: ${{ steps.versions.outputs.qtVersion }}
@@ -119,7 +112,6 @@ jobs:
           ANTLR_VERSION=$(cat ${{ inputs.conanfile }}  | sed -rn -e 's%^.*antlr4-cppruntime/(.+)"\)%\1%p')
           echo "antlrVersion=${ANTLR_VERSION}" >> $GITHUB_OUTPUT
 
-          echo "msvcVersion=${{ inputs.msvcVersion }}" >> $GITHUB_OUTPUT
           echo "osxRunner=${{ inputs.osxRunner }}" >> $GITHUB_OUTPUT
           echo "osxTargetDeploymentVersion=${{ inputs.osxTargetDeploymentVersion }}" >> $GITHUB_OUTPUT
 

.github/workflows/build/action.yml

@@ -10,9 +10,6 @@ inputs:
   currentVersion:
     type: string
     description: "Version used for labelling packages and other artifacts"
-  msvcVersion:
-    type: string
-    default: 'UNKNOWN'
   qtVersion:
     type: string
     default: 'UNKNOWN'
@@ -68,4 +65,3 @@ runs:
       conanHash: ${{ inputs.conanHash }}
       qtVersion: ${{ inputs.qtVersion }}
       antlrVersion: ${{ inputs.antlrVersion }}
-      msvcVersion: ${{ inputs.msvcVersion }}

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

@@ -20,10 +20,6 @@ inputs:
   conanHash:
     type: string
     required: true
-  msvcVersion:
-    type: string
-    default: '19.44'
-    required: true
 
 runs:
   using: "composite"
@@ -37,22 +33,6 @@ runs:
     with:
       python-version: '3.11'
 
-  - name: Install Downgraded MSVC
-    shell: powershell
-    run: |
-      # For versions update see here: https://learn.microsoft.com/en-us/visualstudio/install/workload-component-id-vs-build-tools?view=vs-2022
-      Set-Location "C:\Program Files (x86)\Microsoft Visual Studio\Installer\"
-      $InstallPath = "C:\Program Files\Microsoft Visual Studio\2022\Enterprise"
-      $componentsToInstall= @(
-      "Microsoft.VisualStudio.Component.VC.${{ inputs.msvcVersion }}.x86.x64"
-      "Microsoft.VisualStudio.Component.VC.${{ inputs.msvcVersion }}.ATL"
-      )
-      [string]$workloadArgs = $componentsToInstall | ForEach-Object {" --add " +  $_}
-      $Arguments = ('/c', "vs_installer.exe", 'modify', '--installPath', "`"$InstallPath`"",$workloadArgs, '--quiet', '--norestart', '--nocache')
-      # should be run twice
-      $process = Start-Process -FilePath cmd.exe -ArgumentList $Arguments -Wait -PassThru -WindowStyle Hidden
-      $process = Start-Process -FilePath cmd.exe -ArgumentList $Arguments -Wait -PassThru -WindowStyle Hidden
-
   - name: Setup cmake
     uses: jwlawson/actions-setup-cmake@v2
     with:
@@ -64,7 +44,7 @@ runs:
 
   - name: Install Python Dependencies
     shell: bash
-    run: pip3 install aqtinstall conan
+    run: pip3 install py7zr==1.1.0 aqtinstall conan
 
   #
   # Install Qt
@@ -77,8 +57,6 @@ runs:
 
   - name: Setup MSVC Compiler
     uses: ilammy/msvc-dev-cmd@v1
-    with:
-      toolset: ${{ inputs.msvcVersion }}
 
   #
   # Build / Retrieve Freetype
@@ -175,7 +153,6 @@ runs:
     run: |
       conan profile detect
 
-
   - name: Build
     if: ${{ inputs.cacheOnly == 'false' }}
     shell: bash
@@ -192,18 +169,15 @@ runs:
       JAVA_EXE="${JAVA_HOME_21_X64}\bin\java.exe"
 
       # Build
-      conan install . --deployer=direct_deploy --build=missing -s compiler.cppstd=17
       mkdir -p build && cd build
       TEMPD=$(mktemp -d)
       mkdir -p $TEMPD/bin
       cmake ../ -G Ninja -DCMAKE_BUILD_TYPE:STRING="Release" -DCMAKE_C_COMPILER=cl -DANTLR_EXECUTABLE:string=$ANTLR_EXE -DJava_JAVA_EXECUTABLE:string=$JAVA_EXE -DCMAKE_CXX_COMPILER=cl -DMULTI_THREADING:bool=${{ inputs.threading }} -DGUI:bool=true -DCMAKE_INSTALL_PREFIX:PATH=$TEMPD
-      cmake --build . --config Release --target keywordWidgets
       cmake --build . --config Release
       cp bin/* $TEMPD/bin
       ninja install
       mkdir -p install
       cp -r $TEMPD/* install/
-      mv ../direct_deploy ./
 
   - name: Upload Raw Build Artifacts
     if: ${{ inputs.cacheOnly == 'false' }}

.github/workflows/cacheConan.yml

@@ -38,7 +38,6 @@ jobs:
           cacheOnly: true
           currentVersion: ${{ needs.Checkout.outputs.currentVersion }}
           qtVersion: ${{ needs.Checkout.outputs.qtVersion }}
-          msvcVersion: ${{ needs.Checkout.output.msvcVersion }}
           antlrVersion: ${{ needs.Checkout.outputs.antlrVersion }}
           conanHash: ${{ needs.Checkout.outputs.conanHash }}
 

.github/workflows/continuous.yml

@@ -34,7 +34,6 @@ jobs:
       benchmark: false
       publishBenchmarks: false
       currentVersion: ${{ needs.Checkout.outputs.currentVersion }}
-      msvcVersion: ${{ needs.Checkout.outputs.msvcVersion }}
       osxTargetDeploymentVersion: ${{ needs.Checkout.outputs.osxTargetDeploymentVersion }}
       osxRunner: ${{ needs.Checkout.outputs.osxRunner }}
       qtVersion: ${{ needs.Checkout.outputs.qtVersion }}

.github/workflows/continuous2.yml

@@ -0,0 +1,42 @@
+name: Dissolve2
+description: Continuous build workflow specifically for Dissolve 2.0 (develop2)
+
+on:
+  push:
+    branches:
+    - 'develop2'
+    paths-ignore:
+    - '.github/workflows/cacheConan.yml'
+    - '.github/workflows/cacheNix.yml'
+    - '.github/workflows/issues.yml'
+    - '.github/workflows/pr.yml'
+    - '.github/workflows/release.yml'
+    - '.github/ISSUE_TEMPLATE/**'
+    - 'README.md'
+
+jobs:
+
+  Checkout:
+    uses: "./.github/workflows/_checkout.yml"
+    with:
+      publishType: 'continuous'
+
+  QC:
+    needs: [Checkout]
+    uses: "./.github/workflows/_qc.yml"
+    with:
+      nixHash: ${{ needs.Checkout.outputs.nixHash }}
+
+  BuildAndPackage:
+    needs: [Checkout]
+    uses: "./.github/workflows/_build_and_package.yml"
+    with:
+      benchmark: true
+      publishBenchmarks: true
+      currentVersion: ${{ needs.Checkout.outputs.currentVersion }}
+      qtVersion: ${{ needs.Checkout.outputs.qtVersion }}
+      antlrVersion: ${{ needs.Checkout.outputs.antlrVersion }}
+      conanHash: ${{ needs.Checkout.outputs.conanHash }}
+      nixHash: ${{ needs.Checkout.outputs.nixHash }}
+    secrets: inherit
+

.github/workflows/detect_release.yml

@@ -22,7 +22,6 @@ jobs:
     uses: "./.github/workflows/_build_and_package.yml"
     with:
       currentVersion: ${{ needs.Checkout.outputs.currentVersion }}
-      msvcVersion: ${{ needs.Checkout.outputs.msvcVersion }}
       osxTargetDeploymentVersion: ${{ needs.Checkout.outputs.osxTargetDeploymentVersion }}
       osxRunner: ${{ needs.Checkout.outputs.osxRunner }}
       qtVersion: ${{ needs.Checkout.outputs.qtVersion }}

.github/workflows/legacy.yml

@@ -15,7 +15,6 @@ jobs:
     uses: "./.github/workflows/_build_and_package.yml"
     with:
       currentVersion: ${{ needs.Checkout.outputs.currentVersion }}
-      msvcVersion: ${{ needs.Checkout.outputs.msvcVersion }}
       qtVersion: ${{ needs.Checkout.outputs.qtVersion }}
       antlrVersion: ${{ needs.Checkout.outputs.antlrVersion }}
       conanHash: ${{ needs.Checkout.outputs.conanHash }}

.github/workflows/package/osx/action.yml

@@ -51,12 +51,12 @@ runs:
       export PATH="$(python3 -m site --user-base)/bin:$PATH"
 
       # Set variables
-      appName=Dissolve-GUI-${{ runner.arch }}
+      appName=Dissolve-GUI-QML-${{ runner.arch }}
       appDirName=${appName}.app
-      packageName=Dissolve-GUI-${{ runner.arch }}-${{ inputs.currentVersion }}
+      packageName=Dissolve-GUI-QML-${{ runner.arch }}-${{ inputs.currentVersion }}
 
       # Prepare the dmg file content
-      ./prep-dmg -a Dissolve-GUI-${{ runner.arch }} -v ${{ inputs.currentVersion }} -b build/bin/dissolve-gui.app/Contents/MacOS/dissolve-gui -d ${Qt6_ROOT} -i icon/icon-1024x1024.png -p build/bin/dissolve-gui.app/Contents/Info.plist -q src/gui/qml
+      ./prep-dmg -a Dissolve-GUI-QML-${{ runner.arch }} -v ${{ inputs.currentVersion }} -b build/bin/dissolve-gui-qml.app/Contents/MacOS/dissolve-gui-qml -d ${Qt6_ROOT} -i icon/icon-1024x1024.png -p build/bin/dissolve-gui-qml.app/Contents/Info.plist -q src/gui/qml
 
       # Copy dependencies into Frameworks folder in app bundle
       cp -v ./build/direct_deploy/*/lib/*.dylib ${packageName}/${appDirName}/Contents/Frameworks/
@@ -69,7 +69,7 @@ runs:
       export PATH="$(python3 -m site --user-base)/bin:$PATH"
 
       # Set variables
-      appName=Dissolve-GUI-${{ runner.arch }}
+      appName=Dissolve-GUI-QML-${{ runner.arch }}
       appDirName=${appName}.app
       packageName=Dissolve-GUI-${{ runner.arch }}-${{ inputs.currentVersion }}
       dmgName=Dissolve-GUI-${{ inputs.currentVersion }}-${{ runner.arch }}

.github/workflows/pr.yml

@@ -37,7 +37,6 @@ jobs:
     with:
       benchmark: false
       currentVersion: ${{ needs.Checkout.outputs.currentVersion }}
-      msvcVersion: ${{ needs.Checkout.outputs.msvcVersion }}
       osxTargetDeploymentVersion: ${{ needs.Checkout.outputs.osxTargetDeploymentVersion }}
       osxRunner: ${{ needs.Checkout.outputs.osxRunner }}
       qtVersion: ${{ needs.Checkout.outputs.qtVersion }}

.github/workflows/qc/action.yml

@@ -74,6 +74,6 @@ runs:
     shell: bash
     run: |
       set -ex
-      MAX_ERRORS=3
+      MAX_ERRORS=1
       MAX_WARNINGS=1
       nix develop -L --command scripts/cppCheckTest.sh $MAX_ERRORS $MAX_WARNINGS

.github/workflows/recreate_release.yml

@@ -24,9 +24,6 @@ jobs:
     uses: "./.github/workflows/_build_and_package.yml"
     with:
       currentVersion: ${{ needs.Checkout.outputs.currentVersion }}
-      msvcVersion: ${{ needs.Checkout.outputs.msvcVersion }}
-      osxTargetDeploymentVersion: ${{ needs.Checkout.outputs.osxTargetDeploymentVersion }}
-      osxRunner: ${{ needs.Checkout.outputs.osxRunner }}
       qtVersion: ${{ needs.Checkout.outputs.qtVersion }}
       antlrVersion: ${{ needs.Checkout.outputs.antlrVersion }}
       conanHash: ${{ needs.Checkout.outputs.conanHash }}

.gitignore

@@ -5,6 +5,7 @@ configure
 aclocal.m4
 /autom4te.cache/
 Makefile
+.cache
 .deps/
 .direnv
 config.h
@@ -24,6 +25,7 @@ stamp-h1
 ui_*
 moc_*
 *.kdev4
+/.cache/
 build/
 build-*/
 *.exe
@@ -48,6 +50,7 @@ aqtinstall.log
 *.gr
 *.sq
 *.rewrite
+tests/data/*.xml
 tests/epsr/D2O-ReferenceData.q
 tests/epsr/D2O-ReferenceData.r
 tests/epsr/EPSR01-EstSQ-HW-HW.txt
@@ -60,6 +63,7 @@ tests/epsr/H2OX-weighted-total.gr.broad
 tests/epsr/HDO-ReferenceData.q
 tests/epsr/HDO-ReferenceData.r
 tests/data/dissolve/input/TestOutput_*
+tests/data/*restart.txt
 
 # Visual Studio
 .vscode/