Merge branch 'develop2' into fix/develop2-vs2022-7zip

Author: RobBuchananCompPhys

.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:
@@ -86,26 +82,5 @@ jobs:
         nixHash: ${{ inputs.nixHash }}
         benchmark: ${{ inputs.benchmark }}
         publishBenchmarks: ${{ inputs.publishBenchmarks }}
+        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
@@ -24,7 +21,7 @@ on:
         default: "1.2.5"
       conanfile:
         type: string
-        default: cmake/Modules/conan-dissolve.cmake
+        default: conanfile.py
       publishType:
         default: 'none'
         type: string
@@ -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: ${{ steps.versions.outputs.qtVersion }}
@@ -116,10 +109,9 @@ jobs:
           echo "hugoVersion=${{ inputs.hugoVersion }}" >> $GITHUB_OUTPUT
           echo "apptainerVersion=${{ inputs.apptainerVersion }}" >> $GITHUB_OUTPUT
 
-          ANTLR_VERSION=$(cat ${{ inputs.conanfile }}  | sed -n -e 's%^.*antlr4-cppruntime/%%p')
+          ANTLR_VERSION=$(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/_website.yml

@@ -53,7 +53,7 @@ jobs:
       shell: bash
       run: |
         # Set version and tip visibility in docs index
-        sed -i 's/RELEASETYPE version MAJOR.MINOR/Release v${{ inputs.displayMajorVersion }}.${{ inputs.displayMinorVersion }}/g' web/docs/_index.md
+        sed -i 's/DISSOLVERELEASETYPE version DISSOLVEMAJORVERSION.DISSOLVEMINORVERSION/Release v${{ inputs.displayMajorVersion }}.${{ inputs.displayMinorVersion }}/g' web/docs/_index.md web/docs/examples/_index.md
         sed -i "/RELEASE TIP/d" web/docs/_index.md
         head -n 10 web/docs/_index.md
   
@@ -62,7 +62,7 @@ jobs:
       shell: bash
       run: |
         # Set version and tip visibility in docs index
-        sed -i 's/RELEASETYPE version MAJOR.MINOR/Development version ${{ inputs.displayMajorVersion }}.${{ inputs.displayMinorVersion }}/g' web/docs/_index.md
+        sed -i 's/DISSOLVERELEASETYPE version DISSOLVEMAJORVERSION.DISSOLVEMINORVERSION/Development version ${{ inputs.displayMajorVersion }}.${{ inputs.displayMinorVersion }}/g' web/docs/_index.md web/docs/examples/_index.md
         sed -i "/DEVELOPMENT TIP/d" web/docs/_index.md
         head -n 10 web/docs/_index.md
   
@@ -79,7 +79,7 @@ jobs:
       shell: bash
       run: |
         # Set version and tip visibility in docs index
-        sed -i 's/RELEASETYPE version MAJOR.MINOR/Legacy version ${{ inputs.displayMajorVersion }}.${{ inputs.displayMinorVersion }}/g' web/docs/_index.md
+        sed -i 's/DISSOLVERELEASETYPE version DISSOLVEMAJORVERSION.DISSOLVEMINORVERSION/Legacy version ${{ inputs.displayMajorVersion }}.${{ inputs.displayMinorVersion }}/g' web/docs/_index.md web/docs/examples/_index.md
         sed -i "/LEGACY TIP/d" web/docs/_index.md
         head -n 10 web/docs/_index.md
   

.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/linux/action.yml

@@ -23,14 +23,8 @@ runs:
   using: "composite"
   steps:
 
-  - name: Free Space
-    shell: bash
-    run: |
-      set -ex
-      df -mh .
-      sudo rm -rf /usr/share/dotnet
-      sudo rm -rf "$AGENT_TOOLSDIRECTORY"
-      df -mh .
+  - name: Free Up Space
+    uses: "./.github/workflows/linux-free-up-space"
 
   - name: Install nix
     uses: "./.github/workflows/get-nix"
@@ -56,45 +50,12 @@ 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 "no_one@example.com"
-      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 ".?submodules=1#$singularityTarget"
+      nix build -L ".#$singularityTarget"
 
       # Assemble artifacts
       mkdir packages-sif
@@ -105,39 +66,39 @@ runs:
     run: |
       set -ex
 
-      nix bundle -L .#${{ inputs.target }} -o binary
+      nix bundle --bundler .#default -L .#${{ inputs.target }} -o binary
 
       # Assemble artifacts
       mkdir packages-binary
       cp -v binary packages-binary/${{ inputs.target }}-${{ inputs.currentVersion }}
 
-  - name: Run benchmarks
-    if: inputs.benchmark == 'true'
-    shell: bash
-    run: |
-      set -ex
-      export LD_LIBRARY_PATH=`pwd`/build/onetbb/lib
+  # - name: Run benchmarks
+  #   if: inputs.benchmark == 'true'
+  #   shell: bash
+  #   run: |
+  #     set -ex
+  #     export LD_LIBRARY_PATH=`pwd`/build/onetbb/lib
 
-      nix build -L .#benchmarks
-      rm result
-      nix run -L .#benchmarks > all_benchmark_results.json
+  #     nix build -L .#benchmarks
+  #     rm result
+  #     nix run -L .#benchmarks > all_benchmark_results.json
 
-      cat all_benchmark_results.json
+  #     cat all_benchmark_results.json
 
       # Must reset to HEAD here otherwise the benchmark publishing step will (rightly) fail
-      git reset HEAD --hard
-
-  - name: Store benchmark result
-    uses: benchmark-action/github-action-benchmark@v1
-    if: inputs.publishBenchmarks == 'true' && inputs.benchmark == 'true'
-    with:
-      tool: 'googlecpp'
-      output-file-path: all_benchmark_results.json
-      github-token: ${{ github.token }}
-      auto-push: true
-      comment-on-alert: true
-      alert-threshold: '200%'
-      alert-comment-cc-users: '@disorderedmaterials/dissolve-devs'
+      # git reset HEAD --hard
+
+  # - name: Store benchmark result
+  #   uses: benchmark-action/github-action-benchmark@v1
+  #   if: inputs.publishBenchmarks == 'true' && inputs.benchmark == 'true'
+  #   with:
+  #     tool: 'googlecpp'
+  #     output-file-path: all_benchmark_results.json
+  #     github-token: ${{ github.token }}
+  #     auto-push: true
+  #     comment-on-alert: true
+  #     alert-threshold: '200%'
+  #     alert-comment-cc-users: '@disorderedmaterials/dissolve-devs'
 
   - name: Tidy nix Store
     if: inputs.cacheOnly == 'true'

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

@@ -49,7 +49,7 @@ runs:
   - name: Install Python Dependencies
     shell: bash
     run: |
-      pip3 install aqtinstall conan==1.* --break-system-packages
+      pip3 install aqtinstall conan --break-system-packages
 
   - name: Install Qt
     shell: bash
@@ -88,7 +88,7 @@ runs:
     run: |
       set -ex
       mkdir freetype-build && cd freetype-build
-      cmake ../freetype-latest -G Ninja -DCMAKE_BUILD_TYPE:STRING="Release" -DCMAKE_DISABLE_FIND_PACKAGE_HarfBuzz:bool=true -DCMAKE_DISABLE_FIND_PACKAGE_BZip2:bool=true -DCMAKE_DISABLE_FIND_PACKAGE_PNG:bool=true -DCMAKE_DISABLE_FIND_PACKAGE_ZLIB:bool=true -DCMAKE_DISABLE_FIND_PACKAGE_BrotliDec:bool=true -DCMAKE_INSTALL_PREFIX:path=../freetype-install -DBUILD_SHARED_LIBS:bool=OFF  -DCMAKE_OSX_DEPLOYMENT_TARGET=${{ inputs.targetDeploymentVersion }}
+      cmake ../freetype-latest -G Ninja -DCMAKE_BUILD_TYPE:STRING="Release" -DCMAKE_DISABLE_FIND_PACKAGE_HarfBuzz:bool=true -DCMAKE_DISABLE_FIND_PACKAGE_BZip2:bool=true -DCMAKE_DISABLE_FIND_PACKAGE_PNG:bool=true -DCMAKE_DISABLE_FIND_PACKAGE_ZLIB:bool=true -DCMAKE_DISABLE_FIND_PACKAGE_BrotliDec:bool=true -DCMAKE_INSTALL_PREFIX:path=../freetype-install -DBUILD_SHARED_LIBS:bool=OFF  -DCMAKE_OSX_DEPLOYMENT_TARGET=${{ inputs.osxTargetDeploymentVersion }}
       cmake --build . --target install --config Release
 
   #
@@ -122,7 +122,7 @@ runs:
       INCLUDE="${RUNNER_TEMP}/freetype-latest;$INCLUDE"
       LIB="${RUNNER_TEMP}/freetype-install/lib;${RUNNER_TEMP}/freetype-install/bin;$LIB"
       export FREETYPE_DIR="${RUNNER_TEMP}/freetype-install"
-      cmake ../ftgl-latest -G Ninja -DCMAKE_BUILD_TYPE:STRING="Release" -DCMAKE_INSTALL_PREFIX:path=../ftgl-install -DBUILD_SHARED_LIBS:bool=OFF -DCMAKE_OSX_DEPLOYMENT_TARGET=${{ inputs.targetDeploymentVersion }}
+      cmake ../ftgl-latest -G Ninja -DCMAKE_BUILD_TYPE:STRING="Release" -DCMAKE_INSTALL_PREFIX:path=../ftgl-install -DBUILD_SHARED_LIBS:bool=OFF -DCMAKE_OSX_DEPLOYMENT_TARGET=${{ inputs.osxTargetDeploymentVersion }}
       cmake --build . --target install --config Release
 
   #
@@ -138,6 +138,12 @@ runs:
         ~/.conan
         ~/.conancache
 
+  - name: Setup Conan Profile
+    if: ${{ steps.cache-conan.outputs.cache-hit != 'true' }}
+    shell: bash
+    run: |
+      conan profile detect
+
   - name: Build
     if: ${{ inputs.cacheOnly == 'false' }}
     shell: bash
@@ -166,16 +172,23 @@ runs:
       echo "Java Runtime Executable: ${JAVA_RUNTIME}"
 
       # Set conan cache location
-      conan config set storage.download_cache="${GITHUB_WORKSPACE}/.conancache"
+      conan config home -cc core.download:download_cache="${GITHUB_WORKSPACE}/.conancache"
 
       # Set minimum deployment target version
-      export MACOSX_DEPLOYMENT_TARGET=${{ inputs.targetDeploymentVersion }}
+      export MACOSX_DEPLOYMENT_TARGET=${{ inputs.osxTargetDeploymentVersion }}
 
       # Build
-      mkdir build && cd build
-      cmake -G Ninja -DGUI:bool=true -DMULTI_THREADING:bool=${{ inputs.threading }} -DCONAN_GSL="OFF" -DJava_JAVA_EXECUTABLE:path=${JAVA_RUNTIME} -DANTLR_EXECUTABLE:string=$ANTLR_EXE -DQT_BASE_DIR=$QT_BASE_DIR ../ -DCMAKE_OSX_DEPLOYMENT_TARGET=${{ inputs.targetDeploymentVersion }}
+      conan install . --deployer=direct_deploy --build=missing
+      mkdir -p build && cd build
+
+
+      cmake -G Ninja -DGUI:bool=true -DMULTI_THREADING:bool=${{ inputs.threading }} -DCONAN_GSL="OFF" -DJava_JAVA_EXECUTABLE:path=${JAVA_RUNTIME} -DANTLR_EXECUTABLE:string=$ANTLR_EXE -DQT_BASE_DIR=$QT_BASE_DIR ../ -DCMAKE_OSX_DEPLOYMENT_TARGET=${{ inputs.osxTargetDeploymentVersion }}
       cmake --build . --config Release
 
+      # Move conan-installed deps to the build dir
+      mv ../direct_deploy ./
+      ls -R direct_deploy
+
       # Copy over gsl libs so we can ship them with the bundle. Our exe is only linked to two of the four libs present, and this breaks the binary if we don't include them all in the package.
       mkdir gsl
       cp -v $(brew --prefix gsl)/lib/*.dylib ./gsl