feat: package with CUDA runtime loading

.github/actions/setup/action.yml

@@ -22,7 +22,6 @@ runs:
       shell: bash
       if: ${{ inputs.os == 'macos-latest' }}
       run: |
-        # brew reinstall --build-from-source --formula ./.github/homebrew/libomp.rb
         brew install libomp
         echo "OpenMP_ROOT=$(brew --prefix)/opt/libomp" >> $GITHUB_ENV
 
@@ -46,14 +45,8 @@ runs:
         echo "GIT_LFS_SKIP_SMUDGE=1" >> "$GITHUB_ENV"
         echo "CMAKE_GIT_COMMAND=$(which git)" >> "$GITHUB_ENV"
 
-    - name: 🐍 Install Python (windows)
-      if: ${{ inputs.os == 'windows-latest' }}
-      uses: actions/setup-python@v5
-      with:
-        python-version: "3.12"
-
-    - name: 🐍 Install Python (macOS)
+    - name: 💻 Setup Deployment Target
+      shell: bash
       if: ${{ inputs.os == 'macos-latest' }}
-      uses: actions/setup-python@v5
-      with:
-        python-version: "3.13"
+      run: |
+        echo "MACOSX_DEPLOYMENT_TARGET=15.0" >> $GITHUB_ENV

.github/workflows/build.yml

@@ -57,12 +57,6 @@ jobs:
           key: test-${{ matrix.os }}-${{ matrix.config }}
           path: build/_deps/
 
-      # - name: 🧹 Clean FetchContent deps (Windows)
-      #   if: ${{ matrix.os == 'windows-latest' }}
-      #   shell: pwsh
-      #   run: |
-      #     if (Test-Path build/_deps) { Remove-Item -Recurse -Force build/_deps }
-
       - name: 🏗️ Compile
         run: cmake -DVIENNAPS_BUILD_TESTS=ON -DVIENNAPS_ENABLE_SANITIZER=ON -B build && cmake --build build --config ${{ matrix.config }}
 

.github/workflows/python.yml

@@ -24,7 +24,7 @@ jobs:
       matrix:
         include:
           - os: ubuntu-latest
-            container: ghcr.io/viennatools/vienna-builder:suite-python
+            container: ghcr.io/viennatools/vienna-builder:cuda-suite-python
           - os: windows-latest
           - os: macos-latest
 
@@ -52,18 +52,12 @@ jobs:
         uses: actions/cache@v4
         with:
           key: python-${{ matrix.os }}
-          path: build
+          path: build/_deps/
 
-      # - name: 🧹 Clean FetchContent deps (Windows)
-      #   if: ${{ matrix.os == 'windows-latest' }}
-      #   shell: pwsh
-      #   run: |
-      #     if (Test-Path build/_deps) { Remove-Item -Recurse -Force build/_deps }
-
-      - name: 🛠️ Disable IPO (Alpine)
+      - name: 🛠️ Enable GPU Bindings on Linux
         if: ${{ matrix.os == 'ubuntu-latest' }}
         run: |
-          sed -i 's/\(DVIENNAPS_BUILD_PYTHON=ON"\)/\1,"-DUSE_IPO=off"/g' pyproject.toml
+          sed -i 's/\(DVIENNAPS_BUILD_PYTHON=ON"\)/\1,"-DVIENNAPS_USE_GPU=ON", "-DVIENNACORE_LINK_CUDA_DRIVER=OFF"/g' pyproject.toml
           cat pyproject.toml
 
       - name: 🐍 Build and check Python Module (Windows)
@@ -78,7 +72,7 @@ jobs:
         if: ${{ matrix.os != 'windows-latest' }}
         run: |
           python -m venv venv
-          CMAKE_ARGS=-DCMAKE_INTERPROCEDURAL_OPTIMIZATION=OFF ./venv/bin/pip install . # Alpine does not like LTO
+          CMAKE_ARGS=-DCMAKE_INTERPROCEDURAL_OPTIMIZATION=OFF ./venv/bin/pip install .
           ./venv/bin/python -c "import viennaps; print(viennaps.__doc__)"
 
       - name: 📦 Upload Artifact
@@ -95,8 +89,7 @@ jobs:
       matrix:
         include:
           - os: ubuntu-latest
-            container: ghcr.io/viennatools/vienna-builder:python
-            skip: "cp36-* cp37-* cp38-* cp39-* pp37-* pp38-* pp39-* pp310-*"
+            skip: "cp36-* cp37-* cp38-* cp39-* pp37-* pp38-* pp39-* pp310-* *-manylinux_i686 *-musllinux_*"
 
           - os: windows-latest
             skip: "cp36-* cp37-* cp38-* cp39-* pp37-* pp38-* pp39-* pp310-*"
@@ -105,7 +98,6 @@ jobs:
             skip: "cp36-* cp37-* cp38-* cp39-* cp310-* pp37-* pp38-* pp39-* pp310-*"
 
     runs-on: ${{ matrix.os }}
-    container: ${{ matrix.container }}
 
     name: "🐍 Package Bindings on ${{ matrix.os }}"
 
@@ -119,7 +111,7 @@ jobs:
           os: ${{ matrix.os }}
 
       - name: 🛞 CIBuildWheel
-        run: pip install cibuildwheel==2.17.0 --break-system-packages
+        run: pip install cibuildwheel==3.4.0 --break-system-packages
 
       - name: 🛠️ Use VTK-Python Libs
         if: ${{ matrix.os == 'windows-latest' }}
@@ -136,14 +128,22 @@ jobs:
       - name: 🛠️ Use VTK-Python Libs
         if: ${{ matrix.os == 'ubuntu-latest' }}
         run: |
-          sed -i 's/\(DVIENNAPS_BUILD_PYTHON=ON"\)/\1,"-DVIENNAPS_PACKAGE_PYTHON=ON","-DVIENNAPS_IS_CI=ON"/g' pyproject.toml
+          sed -i 's/\(DVIENNAPS_BUILD_PYTHON=ON"\)/\1,"-DVIENNAPS_PACKAGE_PYTHON=ON","-DVIENNAPS_IS_CI=ON", "-DVIENNAPS_USE_GPU=ON", "-DVIENNACORE_LINK_CUDA_DRIVER=OFF"/g' pyproject.toml
           cat pyproject.toml
 
-      - name: 🏗️ Build Wheels
+      - name: 🏗️ Build Wheels (Linux)
+        if: ${{ matrix.os == 'ubuntu-latest' }}
+        run: python -m cibuildwheel --output-dir wheelhouse
+        env:
+          CIBW_SKIP: ${{ matrix.skip }}
+          CIBW_MANYLINUX_X86_64_IMAGE: ghcr.io/viennatools/vienna-builder:cuda-python
+
+      - name: 🏗️ Build Wheels (Other)
+        if: ${{ matrix.os != 'ubuntu-latest' }}
         run: python -m cibuildwheel --output-dir wheelhouse
         env:
           CIBW_SKIP: ${{ matrix.skip }}
-          CIBW_ARCHS: auto64
+          CIBW_ARCHS_WINDOWS: auto64
 
       - name: 📦 Upload Artifact
         uses: actions/upload-artifact@v4
@@ -170,4 +170,6 @@ jobs:
           merge-multiple: true
 
       - name: 🚀 Publish Wheels
-        uses: pypa/gh-action-pypi-publish@release/v1
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          skip-existing: true

CMakeLists.txt

@@ -107,7 +107,7 @@ include("cmake/cpm.cmake")
 
 CPMAddPackage(
   NAME ViennaCore
-  VERSION 2.0.0
+  VERSION 2.1.0
   GIT_REPOSITORY "https://github.com/ViennaTools/ViennaCore"
   EXCLUDE_FROM_ALL ${VIENNAPS_BUILD_PYTHON}
   OPTIONS "VIENNACORE_USE_GPU ${VIENNAPS_USE_GPU}")
@@ -119,14 +119,14 @@ CPMAddPackage(
 
 CPMAddPackage(
   NAME ViennaRay
-  VERSION 4.0.0
+  VERSION 4.1.0
   GIT_REPOSITORY "https://github.com/ViennaTools/ViennaRay"
   EXCLUDE_FROM_ALL ${VIENNAPS_BUILD_PYTHON}
   OPTIONS "VIENNARAY_USE_GPU ${VIENNAPS_USE_GPU}")
 
 CPMAddPackage(
   NAME ViennaLS
-  VERSION 5.6.0
+  VERSION 5.7.0
   GIT_REPOSITORY "https://github.com/ViennaTools/ViennaLS"
   EXCLUDE_FROM_ALL ${VIENNAPS_BUILD_PYTHON}
   OPTIONS "VIENNALS_PRECOMPILE_HEADERS ${VIENNAPS_PRECOMPILE_HEADERS}")

examples/boschProcess/boschProcessSimulate.cpp

@@ -61,7 +61,7 @@ void ash(SmartPointer<Domain<NumericType, D>> domain, int &n) {
 
 int main(int argc, char **argv) {
 
-  Logger::setLogLevel(LogLevel::ERROR);
+  Logger::setLogLevel(LogLevel::DEBUG);
   omp_set_num_threads(16);
 
   // Parse the parameters