From 6004697595140ffdcdfb01161b2cb7ca9b4d68e7 Mon Sep 17 00:00:00 2001
From: "Matthew J. Milner" <matterhorn103@proton.me>
Date: Mon, 16 Dec 2024 03:20:31 +0100
Subject: [PATCH 1/7] Synchronize workflows

Signed-off-by: Matthew J. Milner <matterhorn103@proton.me>
---
 .github/workflows/build_cmake.yml             | 349 ------------------
 .../{flatpak.yml => build_flatpak.yml}        |   0
 .../{build_qt6.yml => build_linux.yml}        |  99 ++---
 .../workflows/{build_m1.yml => build_mac.yml} |  78 ++--
 .github/workflows/build_windows.yml           |  65 ++--
 5 files changed, 156 insertions(+), 435 deletions(-)
 delete mode 100644 .github/workflows/build_cmake.yml
 rename .github/workflows/{flatpak.yml => build_flatpak.yml} (100%)
 rename .github/workflows/{build_qt6.yml => build_linux.yml} (61%)
 rename .github/workflows/{build_m1.yml => build_mac.yml} (82%)

diff --git a/.github/workflows/build_cmake.yml b/.github/workflows/build_cmake.yml
deleted file mode 100644
index 1f65240685..0000000000
--- a/.github/workflows/build_cmake.yml
+++ /dev/null
@@ -1,349 +0,0 @@
-name: CMake Build Matrix
-# Many thanks to Cristian Adam for examples
-# e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml
-# https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/
-
-
-on: [push, pull_request, workflow_dispatch]
-
-env:
-  QT_VERSION: 5.15.2
-  # this is different from MACOSX_DEPLOYMENT_TARGET to prevent build problems
-  # we set MACOSX_DEPLOYMENT_TARGET later
-  MACOS_TARGET: 10.12
-  FEATURES: -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF -DUSE_VTK=ON -DUSE_3DCONNEXION=ON
-  CACHE: -DCMAKE_C_COMPILER_LAUNCHER=sccache -DCMAKE_CXX_COMPILER_LAUNCHER=sccache
-  SCCACHE_GHA_ENABLED: "true"
-
-concurrency:
-  group: ${{ github.workflow }}-${{ github.ref }}
-  cancel-in-progress: true
-
-jobs:
-  build:
-    name: ${{ matrix.config.name }}
-    runs-on: ${{ matrix.config.os }}
-    strategy:
-      fail-fast: false
-      matrix:
-        config:
-        - {
-            name: "Ubuntu GCC", artifact: "Ubuntu-Latest.tar.gz",
-            os: ubuntu-latest,
-            cc: "gcc", cxx: "g++",
-            build_type: "Release",
-            cmake_flags: "-G Ninja -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON",
-            cpack: "",
-          }
-        - {
-            name: "Ubuntu AppImage", artifact: "Avogadro2.AppImage",
-            os: ubuntu-22.04,
-            cc: "gcc", cxx: "g++",
-            build_type: "Release",
-            cmake_flags: "-G Ninja -DBUILD_MOLEQUEUE=OFF -DINSTALL_BUNDLE_FILES=ON -USE_SYSTEM_ZLIB=ON",
-            cpack: "",
-          }
-        - {
-            name: "macOS Clang", artifact: "macOS.dmg",
-            os: macos-13,
-            cc: "clang", cxx: "clang++",
-            build_type: "Release",
-            cmake_flags: "-G Ninja -DBUILD_MOLEQUEUE=OFF",
-            cpack_flags: "-G DragNDrop",
-          }
-        - {
-            name: "Windows Latest MSVC", artifact: "Win64.exe",
-            os: windows-2019,
-            cc: "cl", cxx: "cl",
-            build_type: "Release",
-            cmake_flags: "-DBUILD_MOLEQUEUE=OFF",
-            build_flags: "-j 2",
-            cpack_flags: "-G NSIS",
-          }
-        - {
-            name: "Ubuntu Address Sanitizer", artifact: "",
-            os: ubuntu-20.04,
-            cc: "gcc", cxx: "g++",
-            build_type: "asan",
-            cmake_flags: "-G Ninja -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON",
-            cpack: "",
-          }
-        - {
-            name: "Ubuntu Undefined Behavior Sanitizer", artifact: "",
-            os: ubuntu-20.04,
-            cc: "gcc", cxx: "g++",
-            build_type: "ubsan",
-            cmake_flags: "-G Ninja -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON",
-            cpack: "",
-          }
-
-    steps:
-
-    - name: Install Dependencies (Linux)
-      if: runner.os == 'Linux'
-      run: |
-        sudo add-apt-repository -y universe
-        sudo apt-get -qq update
-        sudo apt-get -qq install ninja-build libeigen3-dev libboost-all-dev libglew-dev libxml2-dev
-        sudo apt-get -qq install qtbase5-dev qtchooser qt5-qmake qtbase5-dev-tools libqt5x11extras5-dev libqt5svg5-dev
-        sudo apt-get -qq install libgcc-10-dev libgcc-9-dev
-        sudo apt install libfuse2
-    - name: Install Dependencies (macOS)
-      if: runner.os == 'macOS'
-      run: |
-        if uname -p | grep -q "arm" ; then
-           export PATH=/opt/homebrew/bin:$PATH
-        else # not self-hosted runner
-          brew install ninja eigen glew
-        fi
-    - name: Install Dependencies (Windows)
-      if: runner.os == 'Windows'
-      run: choco install ninja
-
-    - name: Checkout openchemistry
-      uses: actions/checkout@v4
-      with:
-        repository: openchemistry/openchemistry
-        submodules: recursive
-
-    - name: Checkout molecules
-      uses: actions/checkout@v4
-      with:
-        repository: openchemistry/molecules
-        path: molecules
-
-    - name: Checkout fragments
-      uses: actions/checkout@v4
-      with:
-        repository: openchemistry/fragments
-        path: fragments
-
-    - name: Checkout crystals
-      uses: actions/checkout@v4
-      with:
-        repository: openchemistry/crystals
-        path: crystals
-
-    - name: Checkout i18n
-      uses: actions/checkout@v4
-      with:
-        repository: openchemistry/avogadro-i18n
-        path: avogadro-i18n
-
-    - name: Checkout avogadroapp
-      uses: actions/checkout@v4
-      with:
-        repository: openchemistry/avogadroapp
-        path: avogadroapp
-        fetch-depth: 0
-
-    - name: Checkout avogadrolibs
-      uses: actions/checkout@v4
-      with:
-        path: avogadrolibs
-        fetch-depth: 0
-
-    - name: Install Qt
-      uses: jurplel/install-qt-action@v3
-      with:
-        aqtversion: '==3.1.*'
-        cache: true
-        version: ${{ env.QT_VERSION }}
-
-    - name: Configure MSVC Command Prompt
-      if: runner.os == 'Windows'
-      uses: ilammy/msvc-dev-cmd@v1
-      with:
-        arch: x64
-
-    - name: Grab cache files
-      uses: actions/cache@v4
-      if: runner.os != 'Windows'
-      with:
-        path: |
-          ${{ runner.workspace }}/build/Downloads
-        key: ${{ matrix.config.name }}-downloads
-
-    - name: Run sccache-cache
-      uses: mozilla-actions/sccache-action@main
-
-    - name: Configure
-      run: |
-        if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi
-        cd "${{ runner.workspace }}/build"
-        # won't have any effect except on Mac
-        echo "MACOSX_DEPLOYMENT_TARGET=${{ env.MACOS_TARGET }}" >> $GITHUB_ENV
-        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} ${{env.CACHE}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
-      shell: bash
-
-    - name: Build
-      run: |
-        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} CMAKE_C_COMPILER_LAUNCHER=sccache CMAKE_CXX_COMPILER_LAUNCHER=sccache cmake --build . --config ${{matrix.config.build_type}} ${{matrix.config.build_flags}}
-      shell: bash
-      working-directory: ${{ runner.workspace }}/build
-
-    - name: Fix Mac plugins
-      if: runner.os == 'macOS'
-      working-directory: ${{ runner.workspace }}/build/prefix/lib/openbabel
-      run: |
-        for plugin in *.so; do
-          for libpath in `otool -L ${plugin} | grep '/Users/runner/work' | awk '{print $1}'`; do
-            export lib=`echo $libpath | cut -d '/' -f 9`;
-            echo "Fixing $plugin $lib $libpath"
-            install_name_tool -change $libpath @executable_path/../Frameworks/$lib $plugin
-          done
-        done
-        cd .. # build/prefix/lib
-        for plugin in libinchi.?.?.?.dylib libopenbabel.?.?.?.dylib; do
-          for libpath in `otool -L ${plugin} | grep '/Users/runner/work' | awk '{print $1}'`; do
-            export lib=`echo $libpath | cut -d '/' -f 9`;
-            echo "Fixing $plugin $lib $libpath"
-            install_name_tool -change $libpath @executable_path/../Frameworks/$lib $plugin
-          done
-        done
-        otool -L libinchi.?.?.?.dylib
-        otool -L libopenbabel.?.?.?.dylib
-        cp -p libinchi* ../Avogadro2.app/Contents/Frameworks/
-        cp -p libopenbabel* ../Avogadro2.app/Contents/Frameworks/
-        # finally, fixup the binaries
-        cd ../bin
-        for exe in obabel obmm eht_bind genXrdPattern; do
-          for libpath in `otool -L ${exe} | grep '/Users/runner/work' | awk '{print $1}'`; do
-            export lib=`echo $libpath | cut -d '/' -f 9`;
-            echo "Fixing $exe $lib $libpath"
-            install_name_tool -change $libpath @executable_path/../Frameworks/$lib $exe
-          done
-        done
-
-    - name: Run tests
-      if: matrix.config.os == 'ubuntu-20.04'
-      shell: cmake -P {0}
-      run: |
-        include(ProcessorCount)
-        ProcessorCount(N)
-        set(ENV{CTEST_OUTPUT_ON_FAILURE} "ON")
-        set(ENV{ASAN_OPTIONS} "new_delete_type_mismatch=0")
-        execute_process(
-          COMMAND ctest -j ${N}
-          WORKING_DIRECTORY ${{ runner.workspace }}/build/avogadrolibs
-          RESULT_VARIABLE result
-        )
-        if (NOT result EQUAL 0)
-          message(FATAL_ERROR "Running tests failed!")
-        endif()
-
-    - name: Install the Apple certificate
-      # From GitHub docs: https://docs.github.com/en/actions/guides/installing-an-apple-certificate-on-macos-runners-for-xcode-development
-      if: runner.os == 'macOS'
-      working-directory: ${{ runner.workspace }}/build
-      env:
-        BUILD_CERTIFICATE_BASE64: ${{ secrets.BUILD_CERTIFICATE_BASE64 }}
-        P12_PASSWORD: ${{ secrets.P12_PASSWORD }}
-        KEYCHAIN_PASSWORD: ${{ secrets.KEYCHAIN_PASSWORD }}
-        NOTARIZE_USERNAME: ${{ secrets.AC_USERNAME }}
-        NOTARIZE_PASSWORD: ${{ secrets.AC_PASSWORD }}
-        CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }}
-        PRODUCT_BUNDLE_IDENTIFIER: cc.avogadro
-      run: |
-        # be sure the DMG can be created easily
-        # https://github.com/actions/runner-images/issues/7522#issuecomment-1556766641
-        echo killing...; sudo pkill -9 XProtect >/dev/null || true;
-        echo waiting...; while pgrep XProtect; do sleep 3; done;
-
-        # create variables
-        if [ -n "${P12_PASSWORD}" ]; then
-          CERTIFICATE_PATH=$RUNNER_TEMP/build_certificate.p12
-          KEYCHAIN_PATH=$RUNNER_TEMP/app-signing.keychain-db
-
-          # import certificate and provisioning profile from secrets
-          echo -n "$BUILD_CERTIFICATE_BASE64" | base64 -d -o $CERTIFICATE_PATH
-
-          # create temporary keychain if the cert is non-zero
-          if [ -s $CERTIFICATE_PATH ]; then
-            security create-keychain -p "$KEYCHAIN_PASSWORD" $KEYCHAIN_PATH
-            security set-keychain-settings -lut 21600 $KEYCHAIN_PATH
-            security unlock-keychain -p "$KEYCHAIN_PASSWORD" $KEYCHAIN_PATH
-
-            # import certificate to keychain
-            security import $CERTIFICATE_PATH -P "$P12_PASSWORD" -A -t cert -f pkcs12 -k $KEYCHAIN_PATH
-            security list-keychain -d user -s $KEYCHAIN_PATH
-
-            # signing occurs via avogadroapp cpack instructions
-          fi # certificate exists
-        fi # password exists
-
-    - name: Create Mac and Windows Packages
-      if: runner.os == 'Windows' || runner.os == 'macOS'
-      shell: bash
-      run: |
-        if [ -z "${P12_PASSWORD}" ]; then
-          unset CODESIGN_IDENTITY # to prevent cpack failing when trying to sign
-        fi
-        if [ -z "${OPENSSL_ROOT_DIR}" ]; then
-          unset OPENSSL_ROOT_DIR
-        fi
-        [[ ! "${GITHUB_REF}" =~ "tags" ]] && export SNAPSHOT_DATE=`date "+%d-%m-%y"`
-        cpack ${{ matrix.config.cpack_flags }}
-      working-directory: ${{ runner.workspace }}/build/avogadroapp
-      continue-on-error: true
-      env:
-        P12_PASSWORD: ${{ secrets.P12_PASSWORD }}
-        CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }}
-        OPENSSL_ROOT_DIR: ${{ matrix.config.ssl_env }}
-
-    - name: AppImage
-      if: matrix.config.os == 'ubuntu-22.04' && matrix.config.build_type == 'Release'
-      shell: bash
-      run: |
-        mkdir appdir
-        mv prefix appdir/usr
-
-        export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:appdir/usr/lib
-
-        wget -c -nv "https://github.com/linuxdeploy/linuxdeploy/releases/download/continuous/linuxdeploy-x86_64.AppImage"
-        wget -c -nv "https://github.com/linuxdeploy/linuxdeploy-plugin-qt/releases/download/continuous/linuxdeploy-plugin-qt-x86_64.AppImage"
-        wget -c -nv "https://github.com/AppImage/AppImageKit/releases/download/continuous/appimagetool-x86_64.AppImage"
-        chmod a+x *.AppImage
-
-        ./linuxdeploy-x86_64.AppImage -d appdir/usr/share/applications/*.desktop --plugin qt --appdir appdir
-        # add the custom AppRun
-        rm appdir/AppRun
-        cp ../avogadrolibs/avogadrolibs/scripts/AppImage.sh appdir/AppRun
-        chmod a+x appdir/AppRun
-        ./appimagetool-x86_64.AppImage appdir
-        mv Avogadro*.AppImage avogadroapp # for upload
-      working-directory: ${{ runner.workspace }}/build
-
-    - name: Notarize Mac DMG
-      if: runner.os == 'macOS'
-      run: |
-        # check if we have the password and the username
-        if [ -n "${NOTARIZE_PASSWORD}" ] && [ -n "${NOTARIZE_USERNAME}" ]; then
-          codesign -s "$CODESIGN_IDENTITY" --timestamp Avogadro2*.dmg
-          xcrun notarytool submit Avogadro2*.dmg --apple-id "$NOTARIZE_USERNAME" --team-id "$NOTARIZE_TEAM" --password "$NOTARIZE_PASSWORD" --verbose --wait
-          xcrun stapler staple -v Avogadro2*.dmg
-        fi
-      working-directory: ${{ runner.workspace }}/build/avogadroapp
-      env:
-        NOTARIZE_TEAM: ${{ secrets.AC_TEAM }}
-        NOTARIZE_USERNAME: ${{ secrets.AC_USERNAME }}
-        NOTARIZE_PASSWORD: ${{ secrets.AC_PASSWORD }}
-        CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }}
-      continue-on-error: true
-
-    - name: Upload
-      if: matrix.config.artifact != 0
-      id: upload-artifact
-      uses: actions/upload-artifact@v4
-      with:
-        path: ${{ runner.workspace }}/build/avogadroapp/Avogadro*.*
-        name: ${{ matrix.config.artifact }}
-
-    - name: Cleanup
-      if: ${{ always() }} # To ensure this step runs even when earlier steps fail
-      shell: bash
-      run: |
-        ls -la ./
-        rm -rf ./* || true
-        rm -rf ./.??* || true
-        ls -la ./
diff --git a/.github/workflows/flatpak.yml b/.github/workflows/build_flatpak.yml
similarity index 100%
rename from .github/workflows/flatpak.yml
rename to .github/workflows/build_flatpak.yml
diff --git a/.github/workflows/build_qt6.yml b/.github/workflows/build_linux.yml
similarity index 61%
rename from .github/workflows/build_qt6.yml
rename to .github/workflows/build_linux.yml
index 8cf14ea6fd..c15dbf612e 100644
--- a/.github/workflows/build_qt6.yml
+++ b/.github/workflows/build_linux.yml
@@ -1,17 +1,17 @@
-name: Qt6 Build Matrix
+name: Linux Build Matrix
 # Many thanks to Cristian Adam for examples
 # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml
 # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/
 
-
 on: [push, pull_request, workflow_dispatch]
 
 env:
   QT_VERSION: 6.8.1
-  # this is different from MACOSX_DEPLOYMENT_TARGET to prevent build problems
-  # we set MACOSX_DEPLOYMENT_TARGET later
-  MACOS_TARGET: 12
-  FEATURES: -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF -DUSE_VTK=ON -DQT_VERSION=6
+  FEATURES: -DUSE_VTK=ON -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF -DQT_VERSION=6
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
 
 jobs:
   build:
@@ -22,88 +22,101 @@ jobs:
       matrix:
         config:
         - {
-            name: "Ubuntu Qt6", artifact: "",
+            name: "Ubuntu", artifact: "ubuntu-x86_64.tar.gz",
             os: ubuntu-latest,
             cc: "gcc", cxx: "g++",
             build_type: "Release",
             cmake_flags: "-G Ninja",
-            cpack: "",
           }
         - {
-            name: "Ubuntu Qt6 AppImage", artifact: "",
+            name: "AppImage", artifact: "Avogadro2.AppImage",
             os: ubuntu-22.04,
             cc: "gcc", cxx: "g++",
             build_type: "Release",
             cmake_flags: "-G Ninja -DINSTALL_BUNDLE_FILES=ON",
-            cpack: "",
           }
         - {
-            name: "macOS Qt6", artifact: "",
-            os: macos-latest,
-            cc: "clang", cxx: "clang++",
-            build_type: "Release",
-            cmake_flags: "-G Ninja -DCMAKE_OSX_ARCHITECTURES='arm64;x86_64'",
-            cpack_flags: "-G DragNDrop",
+            name: "Ubuntu Address Sanitizer", artifact: "",
+            os: ubuntu-latest,
+            cc: "gcc", cxx: "g++",
+            build_type: "asan",
+            cmake_flags: "-G Ninja -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON",
           }
         - {
-            name: "Windows Qt6", artifact: "",
-            os: windows-latest,
-            cc: "cl", cxx: "cl",
-            build_type: "Release",
-            cmake_flags: "",
-            build_flags: "-j 2",
-            cpack_flags: "-G NSIS",
+            name: "Ubuntu Undefined Behavior Sanitizer", artifact: "",
+            os: ubuntu-latest,
+            cc: "gcc", cxx: "g++",
+            build_type: "ubsan",
+            cmake_flags: "-G Ninja -DENABLE_TESTING=ON -DTEST_QTGL=OFF -USE_SYSTEM_ZLIB=ON",
           }
 
     steps:
 
-    - name: Install Dependencies (Linux)
-      if: runner.os == 'Linux'
+    - name: Install Dependencies
       run: |
         sudo apt-get -qq update
         sudo apt-get -qq install ninja-build libeigen3-dev libboost-all-dev libglew-dev libxml2-dev
-    - name: Install Dependencies (macOS)
-      if: runner.os == 'macOS'
-      run: |
-        brew install ninja eigen glew
-    - name: Install Dependencies (Windows)
-      if: runner.os == 'Windows'
-      run: choco install ninja
 
     - name: Checkout openchemistry
       uses: actions/checkout@v4
       with:
         repository: openchemistry/openchemistry
         submodules: recursive
-
+        path: openchemistry
+          
     - name: Checkout avogadroapp
       uses: actions/checkout@v4
       with:
         repository: openchemistry/avogadroapp
-        path: avogadroapp
-
+        path: openchemistry/avogadroapp
+        fetch-depth: 0
+        
     - name: Checkout avogadrolibs
       uses: actions/checkout@v4
       with:
-        path: avogadrolibs
+        path: openchemistry/avogadrolibs
+        fetch-depth: 0
+
+    - name: Checkout i18n
+      uses: actions/checkout@v4
+      with:
+        repository: openchemistry/avogadro-i18n
+        path: openchemistry/avogadro-i18n
+    
+    - name: Checkout avogadrogenerators
+      uses: actions/checkout@v4
+      with:
+        repository: openchemistry/avogenerators
+        path: openchemistry/avogadrogenerators
+
+    - name: Checkout crystals
+      uses: actions/checkout@v4
+      with:
+        repository: openchemistry/crystals
+        path: openchemistry/crystals
+
+    - name: Checkout fragments
+      uses: actions/checkout@v4
+      with:
+        repository: openchemistry/fragments
+        path: openchemistry/fragments
+
+    - name: Checkout molecules
+      uses: actions/checkout@v4
+      with:
+        repository: openchemistry/molecules
+        path: openchemistry/molecules
 
     - name: Install Qt
       uses: jurplel/install-qt-action@v4
       with:
         version: ${{ env.QT_VERSION }}
 
-    - name: Configure MSVC Command Prompt
-      if: runner.os == 'Windows'
-      uses: ilammy/msvc-dev-cmd@v1
-      with:
-        arch: x64
-
     - name: Configure
       run: |
         if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi
         cd "${{ runner.workspace }}/build"
         # won't have any effect except on Mac
-        echo "MACOSX_DEPLOYMENT_TARGET=${{ env.MACOS_TARGET }}" >> $GITHUB_ENV
         CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
       shell: bash
 
diff --git a/.github/workflows/build_m1.yml b/.github/workflows/build_mac.yml
similarity index 82%
rename from .github/workflows/build_m1.yml
rename to .github/workflows/build_mac.yml
index 4218681223..a6eea2482a 100644
--- a/.github/workflows/build_m1.yml
+++ b/.github/workflows/build_mac.yml
@@ -1,12 +1,13 @@
-name: CMake Self-Hosted
+name: macOS Build Matrix
 
-on: [push, pull_request, workflow_dispatch]
+on: [push, pull_request]
 
 env:
   # this is different from MACOSX_DEPLOYMENT_TARGET to prevent build problems
   # we set MACOSX_DEPLOYMENT_TARGET later
-  MACOS_TARGET: 10.12
-  FEATURES: -DUSE_VTK=ON -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF -DUSE_3DCONNEXION=ON
+  MACOS_TARGET: 12
+  QT_VERSION: 5.15.2
+  FEATURES: -DUSE_VTK=ON -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF
 
 concurrency:
   group: ${{ github.workflow }}-${{ github.ref }}
@@ -21,13 +22,32 @@ jobs:
       matrix:
         config:
         - {
-            name: "macOS ARM", artifact: "macOS-arm64.dmg",
+            name: "macOS Intel", artifact: "macOS-x86_64.dmg",
+            os: macos-latest,
+            cc: "clang", cxx: "clang++",
+            build_type: "Release",
+            cmake_flags: "-G Ninja -DCMAKE_OSX_ARCHITECTURES='x86_64'",
+            cpack_flags: "-G DragNDrop",
+          }
+        - {
+            name: "macOS Apple Silicon", artifact: "macOS-arm64.dmg",
             os: [self-hosted, macOS],
             cc: "clang", cxx: "clang++",
             build_type: "Release",
             cmake_flags: "-G Ninja -DCMAKE_PREFIX_PATH=/opt/homebrew/Cellar/qt@5/5.15.5_1/lib/cmake/Qt5",
             cpack_flags: "-G DragNDrop",
           }
+        - {
+            name: "macOS Qt6", artifact: "",
+            os: macos-latest,
+            cc: "clang", cxx: "clang++",
+            build_type: "Release",
+            cmake_flags: "-G Ninja -DCMAKE_OSX_ARCHITECTURES='arm64;x86_64'",
+            cpack_flags: "-G DragNDrop",
+            env: {
+              QT_VERSION: 6.8.1,
+            }
+          }
 
     steps:
 
@@ -45,41 +65,57 @@ jobs:
       with:
         repository: openchemistry/openchemistry
         submodules: recursive
-
+        path: openchemistry
+      
     - name: Checkout avogadroapp
       uses: actions/checkout@v4
       with:
-        repository: openchemistry/avogadroapp
-        path: avogadroapp
-
-    - name: Checkout molecules
+        path: openchemistry/avogadroapp
+        fetch-depth: 0
+        
+    - name: Checkout avogadrolibs
       uses: actions/checkout@v4
       with:
-        repository: openchemistry/molecules
-        path: molecules
+        repository: openchemistry/avogadrolibs
+        path: openchemistry/avogadrolibs
+        fetch-depth: 0
 
-    - name: Checkout fragments
+    - name: Checkout i18n
       uses: actions/checkout@v4
       with:
-        repository: openchemistry/fragments
-        path: fragments
+        repository: openchemistry/avogadro-i18n
+        path: openchemistry/avogadro-i18n
+    
+    - name: Checkout avogadrogenerators
+      uses: actions/checkout@v4
+      with:
+        repository: openchemistry/avogenerators
+        path: openchemistry/avogadrogenerators
 
     - name: Checkout crystals
       uses: actions/checkout@v4
       with:
         repository: openchemistry/crystals
-        path: crystals
+        path: openchemistry/crystals
 
-    - name: Checkout avogadrolibs
+    - name: Checkout fragments
       uses: actions/checkout@v4
       with:
-        path: avogadrolibs
+        repository: openchemistry/fragments
+        path: openchemistry/fragments
 
-    - name: Checkout i18n
+    - name: Checkout molecules
       uses: actions/checkout@v4
       with:
-        repository: openchemistry/avogadro-i18n
-        path: avogadro-i18n
+        repository: openchemistry/molecules
+        path: openchemistry/molecules
+    
+    - name: Install Qt
+      # Only if not self-hosted
+      if: runner.name != 'macOS Apple Silicon'
+      uses: jurplel/install-qt-action@v4
+      with:
+        version: ${{ env.QT_VERSION }}
 
     - name: Configure
       run: |
diff --git a/.github/workflows/build_windows.yml b/.github/workflows/build_windows.yml
index 380dc79a63..0ccbf81c5c 100644
--- a/.github/workflows/build_windows.yml
+++ b/.github/workflows/build_windows.yml
@@ -1,4 +1,4 @@
-name: CMake Windows Build
+name: Windows Build Matrix
 # Many thanks to Cristian Adam for examples
 # e.g. https://github.com/cristianadam/HelloWorld/blob/master/.github/workflows/build_cmake.yml
 # https://cristianadam.eu/20191222/using-github-actions-with-c-plus-plus-and-cmake/
@@ -7,11 +7,11 @@ name: CMake Windows Build
 # .. since SignPath requires only a Windows build in the action
 # .. to successfully sign
 
-on: [push, workflow_dispatch]
+on: [push, pull_request]
 
 env:
   QT_VERSION: 5.15.2
-  FEATURES: -DBUILD_GPL_PLUGINS=ON -DWITH_COORDGEN=OFF -DUSE_VTK=ON -DUSE_3DCONNEXION=ON
+  FEATURES: -DUSE_VTK=ON -DBUILD_GPL_PLUGINS=ON -DBUILD_MOLEQUEUE=OFF -DWITH_COORDGEN=OFF
 
 concurrency:
   group: ${{ github.workflow }}-${{ github.ref }}
@@ -26,14 +26,26 @@ jobs:
       matrix:
         config:
         - {
-            name: "Windows Latest MSVC", artifact: "Win64.exe",
+            name: "Windows", artifact: "windows-x86_64.exe",
             os: windows-latest,
             cc: "cl", cxx: "cl",
             build_type: "Release",
-            cmake_flags: "-DBUILD_MOLEQUEUE=OFF",
+            cmake_flags: "",
             build_flags: "",
             cpack_flags: "-G NSIS",
           }
+        - {
+            name: "Windows Qt6", artifact: "",
+            os: windows-latest,
+            cc: "cl", cxx: "cl",
+            build_type: "Release",
+            cmake_flags: "",
+            build_flags: "",
+            cpack_flags: "-G NSIS",
+            env: {
+              QT_VERSION: 6.8.1,
+            }
+          }
 
     steps:
 
@@ -46,44 +58,53 @@ jobs:
       with:
         repository: openchemistry/openchemistry
         submodules: recursive
-
+        path: openchemistry
+          
     - name: Checkout avogadroapp
       uses: actions/checkout@v4
       with:
-        repository: openchemistry/avogadroapp
-        path: avogadroapp
-
-    - name: Checkout molecules
+        path: openchemistry/avogadroapp
+        fetch-depth: 0
+        
+    - name: Checkout avogadrolibs
       uses: actions/checkout@v4
       with:
-        repository: openchemistry/molecules
-        path: molecules
+        repository: openchemistry/avogadrolibs
+        path: openchemistry/avogadrolibs
+        fetch-depth: 0
 
-    - name: Checkout fragments
+    - name: Checkout i18n
       uses: actions/checkout@v4
       with:
-        repository: openchemistry/fragments
-        path: fragments
+        repository: openchemistry/avogadro-i18n
+        path: openchemistry/avogadro-i18n
+    
+    - name: Checkout avogadrogenerators
+      uses: actions/checkout@v4
+      with:
+        repository: openchemistry/avogenerators
+        path: openchemistry/avogadrogenerators
 
     - name: Checkout crystals
       uses: actions/checkout@v4
       with:
         repository: openchemistry/crystals
-        path: crystals
+        path: openchemistry/crystals
 
-    - name: Checkout i18n
+    - name: Checkout fragments
       uses: actions/checkout@v4
       with:
-        repository: openchemistry/avogadro-i18n
-        path: avogadro-i18n
+        repository: openchemistry/fragments
+        path: openchemistry/fragments
 
-    - name: Checkout avogadrolibs
+    - name: Checkout molecules
       uses: actions/checkout@v4
       with:
-        path: avogadrolibs
+        repository: openchemistry/molecules
+        path: openchemistry/molecules
 
     - name: Install Qt
-      uses: jurplel/install-qt-action@v3
+      uses: jurplel/install-qt-action@v4
       with:
         aqtversion: '==3.1.*'
         cache: true

From 05e9926d6c1af050575822322ad9b745a246ff40 Mon Sep 17 00:00:00 2001
From: "Matthew J. Milner" <matterhorn103@proton.me>
Date: Mon, 16 Dec 2024 03:32:12 +0100
Subject: [PATCH 2/7] Fix macOS checkouts, add cleanup step to Linux

Signed-off-by: Matthew J. Milner <matterhorn103@proton.me>
---
 .github/workflows/build_linux.yml | 9 +++++++++
 .github/workflows/build_mac.yml   | 2 +-
 2 files changed, 10 insertions(+), 1 deletion(-)

diff --git a/.github/workflows/build_linux.yml b/.github/workflows/build_linux.yml
index c15dbf612e..292dd3b867 100644
--- a/.github/workflows/build_linux.yml
+++ b/.github/workflows/build_linux.yml
@@ -153,3 +153,12 @@ jobs:
     - name: Setup tmate session
       if: ${{ failure() }}
       uses: mxschmitt/action-tmate@v3
+
+    - name: Cleanup
+      if: ${{ always() }} # To ensure this step runs even when earlier steps fail
+      shell: bash
+      run: |
+        ls -la ./
+        rm -rf ./* || true
+        rm -rf ./.??* || true
+        ls -la ./
diff --git a/.github/workflows/build_mac.yml b/.github/workflows/build_mac.yml
index a6eea2482a..67cb4fb970 100644
--- a/.github/workflows/build_mac.yml
+++ b/.github/workflows/build_mac.yml
@@ -70,13 +70,13 @@ jobs:
     - name: Checkout avogadroapp
       uses: actions/checkout@v4
       with:
+        repository: openchemistry/avogadroapp
         path: openchemistry/avogadroapp
         fetch-depth: 0
         
     - name: Checkout avogadrolibs
       uses: actions/checkout@v4
       with:
-        repository: openchemistry/avogadrolibs
         path: openchemistry/avogadrolibs
         fetch-depth: 0
 

From 2ced0b2eb3b1a9e07ab3835a000c6edf5c7be221 Mon Sep 17 00:00:00 2001
From: "Matthew J. Milner" <matterhorn103@proton.me>
Date: Mon, 16 Dec 2024 03:38:01 +0100
Subject: [PATCH 3/7] Remove fetch depth limits

Signed-off-by: Matthew J. Milner <matterhorn103@proton.me>
---
 .github/workflows/build_linux.yml   | 2 --
 .github/workflows/build_mac.yml     | 2 --
 .github/workflows/build_windows.yml | 2 --
 3 files changed, 6 deletions(-)

diff --git a/.github/workflows/build_linux.yml b/.github/workflows/build_linux.yml
index 292dd3b867..d5a736fc8b 100644
--- a/.github/workflows/build_linux.yml
+++ b/.github/workflows/build_linux.yml
@@ -69,13 +69,11 @@ jobs:
       with:
         repository: openchemistry/avogadroapp
         path: openchemistry/avogadroapp
-        fetch-depth: 0
         
     - name: Checkout avogadrolibs
       uses: actions/checkout@v4
       with:
         path: openchemistry/avogadrolibs
-        fetch-depth: 0
 
     - name: Checkout i18n
       uses: actions/checkout@v4
diff --git a/.github/workflows/build_mac.yml b/.github/workflows/build_mac.yml
index 67cb4fb970..c86e0ea14b 100644
--- a/.github/workflows/build_mac.yml
+++ b/.github/workflows/build_mac.yml
@@ -72,13 +72,11 @@ jobs:
       with:
         repository: openchemistry/avogadroapp
         path: openchemistry/avogadroapp
-        fetch-depth: 0
         
     - name: Checkout avogadrolibs
       uses: actions/checkout@v4
       with:
         path: openchemistry/avogadrolibs
-        fetch-depth: 0
 
     - name: Checkout i18n
       uses: actions/checkout@v4
diff --git a/.github/workflows/build_windows.yml b/.github/workflows/build_windows.yml
index 0ccbf81c5c..395d5b3bd9 100644
--- a/.github/workflows/build_windows.yml
+++ b/.github/workflows/build_windows.yml
@@ -64,14 +64,12 @@ jobs:
       uses: actions/checkout@v4
       with:
         path: openchemistry/avogadroapp
-        fetch-depth: 0
         
     - name: Checkout avogadrolibs
       uses: actions/checkout@v4
       with:
         repository: openchemistry/avogadrolibs
         path: openchemistry/avogadrolibs
-        fetch-depth: 0
 
     - name: Checkout i18n
       uses: actions/checkout@v4

From ba424763db372288fb73003843962064dc21c58c Mon Sep 17 00:00:00 2001
From: "Matthew J. Milner" <matterhorn103@proton.me>
Date: Mon, 16 Dec 2024 03:52:37 +0100
Subject: [PATCH 4/7] Use correct path for configure step

Signed-off-by: Matthew J. Milner <matterhorn103@proton.me>
---
 .github/workflows/build_linux.yml   | 2 +-
 .github/workflows/build_mac.yml     | 2 +-
 .github/workflows/build_windows.yml | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/build_linux.yml b/.github/workflows/build_linux.yml
index d5a736fc8b..68ce5a62e9 100644
--- a/.github/workflows/build_linux.yml
+++ b/.github/workflows/build_linux.yml
@@ -115,7 +115,7 @@ jobs:
         if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi
         cd "${{ runner.workspace }}/build"
         # won't have any effect except on Mac
-        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
+        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake "${{ runner.workspace }}/openchemistry" ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
       shell: bash
 
     - name: Build
diff --git a/.github/workflows/build_mac.yml b/.github/workflows/build_mac.yml
index c86e0ea14b..836aa9415b 100644
--- a/.github/workflows/build_mac.yml
+++ b/.github/workflows/build_mac.yml
@@ -120,7 +120,7 @@ jobs:
         if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi
         cd "${{ runner.workspace }}/build"
         echo "MACOSX_DEPLOYMENT_TARGET=${{ env.MACOS_TARGET }}" >> $GITHUB_ENV
-        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
+        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake "${{ runner.workspace }}/openchemistry" ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
       shell: bash
 
     - name: Build
diff --git a/.github/workflows/build_windows.yml b/.github/workflows/build_windows.yml
index 395d5b3bd9..b08af73f40 100644
--- a/.github/workflows/build_windows.yml
+++ b/.github/workflows/build_windows.yml
@@ -126,7 +126,7 @@ jobs:
       run: |
         if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi
         cd "${{ runner.workspace }}/build"
-        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
+        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake "${{ runner.workspace }}/openchemistry" ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
       shell: bash
 
     - name: Build

From 713da70f60f170624b6342d18f3aca72b3ca7608 Mon Sep 17 00:00:00 2001
From: "Matthew J. Milner" <matterhorn103@proton.me>
Date: Mon, 16 Dec 2024 04:11:52 +0100
Subject: [PATCH 5/7] Try another path

Signed-off-by: Matthew J. Milner <matterhorn103@proton.me>
---
 .github/workflows/build_linux.yml   | 2 +-
 .github/workflows/build_mac.yml     | 2 +-
 .github/workflows/build_windows.yml | 2 +-
 3 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/build_linux.yml b/.github/workflows/build_linux.yml
index 68ce5a62e9..8f166403cd 100644
--- a/.github/workflows/build_linux.yml
+++ b/.github/workflows/build_linux.yml
@@ -115,7 +115,7 @@ jobs:
         if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi
         cd "${{ runner.workspace }}/build"
         # won't have any effect except on Mac
-        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake "${{ runner.workspace }}/openchemistry" ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
+        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE/openchemistry ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
       shell: bash
 
     - name: Build
diff --git a/.github/workflows/build_mac.yml b/.github/workflows/build_mac.yml
index 836aa9415b..c968a9c5e9 100644
--- a/.github/workflows/build_mac.yml
+++ b/.github/workflows/build_mac.yml
@@ -120,7 +120,7 @@ jobs:
         if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi
         cd "${{ runner.workspace }}/build"
         echo "MACOSX_DEPLOYMENT_TARGET=${{ env.MACOS_TARGET }}" >> $GITHUB_ENV
-        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake "${{ runner.workspace }}/openchemistry" ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
+        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE/openchemistry ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
       shell: bash
 
     - name: Build
diff --git a/.github/workflows/build_windows.yml b/.github/workflows/build_windows.yml
index b08af73f40..8447bc9262 100644
--- a/.github/workflows/build_windows.yml
+++ b/.github/workflows/build_windows.yml
@@ -126,7 +126,7 @@ jobs:
       run: |
         if [ ! -d "${{ runner.workspace }}/build" ]; then mkdir "${{ runner.workspace }}/build"; fi
         cd "${{ runner.workspace }}/build"
-        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake "${{ runner.workspace }}/openchemistry" ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
+        CC=${{matrix.config.cc}} CXX=${{matrix.config.cxx}} cmake $GITHUB_WORKSPACE/openchemistry ${{env.FEATURES}} -DCMAKE_BUILD_TYPE=${{matrix.config.build_type}} ${{matrix.config.cmake_flags}}
       shell: bash
 
     - name: Build

From 20ab9fefe3d99e19e0653ef4b76ef81971545ed8 Mon Sep 17 00:00:00 2001
From: "Matthew J. Milner" <matterhorn103@proton.me>
Date: Mon, 16 Dec 2024 14:41:39 +0100
Subject: [PATCH 6/7] Fix conditionals in mac workflow

Signed-off-by: Matthew J. Milner <matterhorn103@proton.me>
---
 .github/workflows/build_mac.yml | 22 +++++++++-------------
 1 file changed, 9 insertions(+), 13 deletions(-)

diff --git a/.github/workflows/build_mac.yml b/.github/workflows/build_mac.yml
index c968a9c5e9..12c635dac7 100644
--- a/.github/workflows/build_mac.yml
+++ b/.github/workflows/build_mac.yml
@@ -23,7 +23,7 @@ jobs:
         config:
         - {
             name: "macOS Intel", artifact: "macOS-x86_64.dmg",
-            os: macos-latest,
+            os: macos-13,
             cc: "clang", cxx: "clang++",
             build_type: "Release",
             cmake_flags: "-G Ninja -DCMAKE_OSX_ARCHITECTURES='x86_64'",
@@ -51,14 +51,13 @@ jobs:
 
     steps:
 
-    - name: Install Dependencies (macOS)
-      if: runner.os == 'macOS'
-      run: |
-        if uname -p | grep -q "arm" ; then
-           export PATH=/opt/homebrew/bin:$PATH
-        else # not self-hosted runner
-          brew install ninja eigen glew
-        fi
+    - name: Install Dependencies
+      if: matrix.config.name != 'macOS Apple Silicon'
+      run: brew install ninja eigen glew
+    
+    - name: Set PATH (self-hosted)
+      if: matrix.config.name == 'macOS Apple Silicon'
+      run: export PATH=/opt/homebrew/bin:$PATH
 
     - name: Checkout openchemistry
       uses: actions/checkout@v4
@@ -110,7 +109,7 @@ jobs:
     
     - name: Install Qt
       # Only if not self-hosted
-      if: runner.name != 'macOS Apple Silicon'
+      if: matrix.config.name != 'macOS Apple Silicon'
       uses: jurplel/install-qt-action@v4
       with:
         version: ${{ env.QT_VERSION }}
@@ -130,7 +129,6 @@ jobs:
       working-directory: ${{ runner.workspace }}/build
 
     - name: Fix Mac plugins
-      if: runner.os == 'macOS'
       working-directory: ${{ runner.workspace }}/build/prefix/lib/openbabel
       run: |
         for plugin in *.so; do
@@ -163,7 +161,6 @@ jobs:
 
     - name: Install the Apple certificate
       # From GitHub docs: https://docs.github.com/en/actions/guides/installing-an-apple-certificate-on-macos-runners-for-xcode-development
-      if: runner.os == 'macOS'
       working-directory: ${{ runner.workspace }}/build
       env:
         BUILD_CERTIFICATE_BASE64: ${{ secrets.BUILD_CERTIFICATE_BASE64 }}
@@ -212,7 +209,6 @@ jobs:
         CODESIGN_IDENTITY: ${{ secrets.CODESIGN_ID }}
 
     - name: Notarize Mac DMG
-      if: runner.os == 'macOS'
       run: |
         # check if we have the password and the username
         if [ -n "${NOTARIZE_PASSWORD}" ] && [ -n "${NOTARIZE_USERNAME}" ]; then

From 35529a168f3443134ade427e5ad8cec99a70c336 Mon Sep 17 00:00:00 2001
From: "Matthew J. Milner" <matterhorn103@proton.me>
Date: Mon, 16 Dec 2024 14:57:26 +0100
Subject: [PATCH 7/7] Switch to GitHub Apple Silicon runner

Signed-off-by: Matthew J. Milner <matterhorn103@proton.me>
---
 .github/workflows/build_mac.yml | 11 ++---------
 1 file changed, 2 insertions(+), 9 deletions(-)

diff --git a/.github/workflows/build_mac.yml b/.github/workflows/build_mac.yml
index 12c635dac7..53ef3e2793 100644
--- a/.github/workflows/build_mac.yml
+++ b/.github/workflows/build_mac.yml
@@ -31,10 +31,10 @@ jobs:
           }
         - {
             name: "macOS Apple Silicon", artifact: "macOS-arm64.dmg",
-            os: [self-hosted, macOS],
+            os: macos-latest,
             cc: "clang", cxx: "clang++",
             build_type: "Release",
-            cmake_flags: "-G Ninja -DCMAKE_PREFIX_PATH=/opt/homebrew/Cellar/qt@5/5.15.5_1/lib/cmake/Qt5",
+            cmake_flags: "-G Ninja -DCMAKE_OSX_ARCHITECTURES='arm64'",
             cpack_flags: "-G DragNDrop",
           }
         - {
@@ -52,12 +52,7 @@ jobs:
     steps:
 
     - name: Install Dependencies
-      if: matrix.config.name != 'macOS Apple Silicon'
       run: brew install ninja eigen glew
-    
-    - name: Set PATH (self-hosted)
-      if: matrix.config.name == 'macOS Apple Silicon'
-      run: export PATH=/opt/homebrew/bin:$PATH
 
     - name: Checkout openchemistry
       uses: actions/checkout@v4
@@ -108,8 +103,6 @@ jobs:
         path: openchemistry/molecules
     
     - name: Install Qt
-      # Only if not self-hosted
-      if: matrix.config.name != 'macOS Apple Silicon'
       uses: jurplel/install-qt-action@v4
       with:
         version: ${{ env.QT_VERSION }}