feat: use robust DomainSetup serialization and write dimension

.github/actions/setup/action.yml

@@ -55,5 +55,9 @@ runs:
       shell: bash
       if: ${{ inputs.os == 'windows-latest' }}
       run: |
+        unset VCPKG_ROOT
         git clone https://github.com/microsoft/vcpkg.git
-        ./vcpkg/bootstrap-vcpkg.bat
+        cd vcpkg
+        git checkout "$VCPKG_COMMIT"
+        ./bootstrap-vcpkg.bat
+        echo "VCPKG_ROOT=${GITHUB_WORKSPACE}/vcpkg" >> "$GITHUB_ENV"

.github/workflows/build.yml

@@ -35,6 +35,7 @@ jobs:
     container: ${{ matrix.container }}
 
     env:
+      VCPKG_COMMIT: c3867e714dd3a51c272826eea77267876517ed99
       VCPKG_DEFAULT_BINARY_CACHE: ${{ github.workspace }}/.vcpkg-bincache
 
     name: "🧪 Test on ${{ matrix.os }} (⚙️: ${{ matrix.config }}, 💿: ${{ matrix.container || matrix.os }})"
@@ -63,17 +64,18 @@ jobs:
         uses: actions/cache@v4
         with:
           path: ${{ env.VCPKG_DEFAULT_BINARY_CACHE }}
-          key: vcpkg-${{ matrix.os }}-${{ matrix.config }}
+          key: vcpkg-${{ matrix.os }}-${{ matrix.config }}-${{ env.VCPKG_COMMIT }}
 
       - name: 🛠️ Build Dependencies (Windows)
         if: ${{ matrix.os == 'windows-latest' }}
+        shell: pwsh
         run: |
-          ./vcpkg/vcpkg install vtk embree
+          ./vcpkg/vcpkg install --triplet x64-windows
 
       - name: 🏗️ Compile (Windows)
         if: ${{ matrix.os == 'windows-latest' }}
         run: |
-          cmake -DVIENNAPS_BUILD_TESTS=ON -DCMAKE_TOOLCHAIN_FILE=${{ github.workspace }}/vcpkg/scripts/buildsystems/vcpkg.cmake -B build
+          cmake -DVIENNAPS_BUILD_TESTS=ON -DCMAKE_TOOLCHAIN_FILE=${{ github.workspace }}/vcpkg/scripts/buildsystems/vcpkg.cmake -DVCPKG_TARGET_TRIPLET=x64-windows -B build
           cmake --build build --config ${{ matrix.config }}
 
       - name: 🏗️ Compile (other)
@@ -83,4 +85,5 @@ jobs:
           cmake --build build --config ${{ matrix.config }}
 
       - name: 🧪 Test
-        run: ctest --output-on-failure -E "Benchmark|Performance" -C ${{ matrix.config }} --test-dir build
+        run: |
+          ctest --output-on-failure -E "Benchmark|Performance" -C ${{ matrix.config }} --test-dir build

.github/workflows/python.yml

@@ -32,6 +32,7 @@ jobs:
     container: ${{ matrix.container }}
 
     env:
+      VCPKG_COMMIT: c3867e714dd3a51c272826eea77267876517ed99
       VCPKG_DEFAULT_BINARY_CACHE: ${{ github.workspace }}/.vcpkg-bincache
 
     name: "🐍 Test Bindings on ${{ matrix.os }}"
@@ -60,12 +61,13 @@ jobs:
         uses: actions/cache@v4
         with:
           path: ${{ env.VCPKG_DEFAULT_BINARY_CACHE }}
-          key: vcpkg-${{ matrix.os }}-Release
+          key: vcpkg-${{ matrix.os }}-Release-${{ env.VCPKG_COMMIT }}
 
       - name: 🛠️ Build Dependencies (Windows)
         if: ${{ matrix.os == 'windows-latest' }}
+        shell: pwsh
         run: |
-          ./vcpkg/vcpkg install vtk embree
+          ./vcpkg/vcpkg install --triplet x64-windows
 
       - name: 🛠️ Enable GPU Bindings (Linux)
         if: ${{ matrix.os == 'ubuntu-latest' }}
@@ -81,7 +83,9 @@ jobs:
           $toolchain = "${{ github.workspace }}/vcpkg/scripts/buildsystems/vcpkg.cmake".Replace('\', '/')
 
           .\venv\Scripts\python -m pip install --upgrade pip
-          .\venv\Scripts\python -m pip install . --config-settings=cmake.args="-DCMAKE_TOOLCHAIN_FILE=$toolchain"
+          .\venv\Scripts\python -m pip install . `
+            --config-settings=cmake.define.CMAKE_TOOLCHAIN_FILE="$toolchain" `
+            --config-settings=cmake.define.VCPKG_TARGET_TRIPLET="x64-windows"
           .\venv\Scripts\python -c "import viennaps; print(viennaps.__doc__)"
 
       - name: 🐍 Build and check Python Module (Other)

CMakeLists.txt

@@ -106,8 +106,7 @@ include("cmake/cpm.cmake")
 
 CPMAddPackage(
   NAME ViennaCore
-  VERSION 2.1.1
-  GIT_TAG main
+  VERSION 2.1.2
   GIT_REPOSITORY "https://github.com/ViennaTools/ViennaCore"
   EXCLUDE_FROM_ALL ${VIENNAPS_BUILD_PYTHON}
   OPTIONS "VIENNACORE_USE_GPU ${VIENNAPS_USE_GPU}")
@@ -127,6 +126,7 @@ CPMAddPackage(
 CPMAddPackage(
   NAME ViennaLS
   VERSION 5.7.1
+  GIT_TAG master
   GIT_REPOSITORY "https://github.com/ViennaTools/ViennaLS"
   EXCLUDE_FROM_ALL ${VIENNAPS_BUILD_PYTHON}
   OPTIONS "VIENNALS_PRECOMPILE_HEADERS ${VIENNAPS_PRECOMPILE_HEADERS}")

include/viennaps/psDomainSetup.hpp

@@ -3,9 +3,13 @@
 #include "psPreCompileMacros.hpp"
 #include "psUtil.hpp"
 
+#include <cstdint>
 #include <hrleGrid.hpp>
 #include <vcLogger.hpp>
 
+#include <istream>
+#include <ostream>
+
 namespace viennaps {
 
 using namespace viennacore;
@@ -167,6 +171,31 @@ template <int D> class DomainSetup {
       VIENNACORE_LOG_ERROR("Domain setup is not correctly initialized.");
     }
   }
+
+  void serialize(std::ostream &out) const {
+    out.write(reinterpret_cast<const char *>(&gridDelta_), sizeof(gridDelta_));
+
+    out.write(reinterpret_cast<const char *>(bounds_), sizeof(double) * 2 * D);
+
+    for (int i = 0; i < D; i++) {
+      const auto boundary = static_cast<int32_t>(boundaryCons_[i]);
+      out.write(reinterpret_cast<const char *>(&boundary), sizeof(boundary));
+    }
+  }
+
+  void deserialize(std::istream &in) {
+    in.read(reinterpret_cast<char *>(&gridDelta_), sizeof(gridDelta_));
+
+    in.read(reinterpret_cast<char *>(bounds_), sizeof(double) * 2 * D);
+
+    for (int i = 0; i < D; i++) {
+      int32_t boundary = 0;
+      in.read(reinterpret_cast<char *>(&boundary), sizeof(boundary));
+      boundaryCons_[i] = static_cast<BoundaryType>(boundary);
+    }
+
+    init();
+  }
 };
 
 } // namespace viennaps

include/viennaps/psReader.hpp

@@ -64,6 +64,9 @@ VIENNAPS_TEMPLATE_ND(NumericType, D) class Reader {
       return;
     }
 
+    // Clear existing domain data
+    domain->clear();
+
     // Check identifier
     char identifier[8];
     fin.read(identifier, 8);
@@ -76,19 +79,34 @@ VIENNAPS_TEMPLATE_ND(NumericType, D) class Reader {
     // Check format version
     char formatVersion;
     fin.read(&formatVersion, 1);
-    if (formatVersion > 1) {
+    if (formatVersion > 2) {
       VIENNACORE_LOG_ERROR("Reading domain of version " +
                            std::to_string(formatVersion) +
-                           " with reader of version 1 failed.");
+                           " with reader of version 2 failed.");
       return;
     }
 
-    // Clear existing domain data
-    domain->clear();
+    if (formatVersion >= 2) {
+      // Read dimension and check it matches the reader's dimension
+      char dimension;
+      fin.read(&dimension, 1);
+      if (dimension != D) {
+        VIENNACORE_LOG_ERROR("Reading domain failed. Domain dimension " +
+                             std::to_string(dimension) +
+                             " does not match reader dimension " +
+                             std::to_string(D) + ".");
+        return;
+      }
+    }
 
     // Read domain setup
     typename Domain<NumericType, D>::Setup setup;
-    fin.read(reinterpret_cast<char *>(&setup), sizeof(setup));
+    if (formatVersion >= 2) {
+      setup.deserialize(fin);
+    } else {
+      // Legacy formats store setup as a raw object dump.
+      fin.read(reinterpret_cast<char *>(&setup), sizeof(setup));
+    }
     domain->setup(setup);
 
     // Read number of level sets

include/viennaps/psWriter.hpp

@@ -23,7 +23,6 @@ VIENNAPS_TEMPLATE_ND(NumericType, D) class Writer {
 private:
   SmartPointer<Domain<NumericType, D>> domain = nullptr;
   std::string fileName;
-  bool meshOutput = false;
 
 public:
   Writer() = default;
@@ -44,8 +43,6 @@ VIENNAPS_TEMPLATE_ND(NumericType, D) class Writer {
     fileName = std::move(passedFileName);
   }
 
-  void setMeshOutput(bool meshOutputFlag) { meshOutput = meshOutputFlag; }
-
   void apply() {
     // check domain
     if (domain == nullptr) {
@@ -60,8 +57,7 @@ VIENNAPS_TEMPLATE_ND(NumericType, D) class Writer {
     }
 
     if (fileName.find(".vpsd") != fileName.length() - 5) {
-      VIENNACORE_LOG_WARNING(
-          "File name does not end in '.vpsd', appending it.");
+      VIENNACORE_LOG_INFO("File name does not end in '.vpsd', appending it.");
       fileName.append(".vpsd");
     }
 
@@ -70,19 +66,18 @@ VIENNAPS_TEMPLATE_ND(NumericType, D) class Writer {
 
     // Write header identifier
     fout << "psDomain";
-    if (meshOutput) {
-      fout << "ForMesher";
-    }
 
-    // Version 1 serializes materials by stable names.
-    char formatVersion = 1;
+    // Write format version for future compatibility.
+    char formatVersion = 2;
     fout.write(&formatVersion, 1);
 
+    // Since version 2: write dimension
+    char dimension = static_cast<char>(D);
+    fout.write(&dimension, 1);
+
     // Write domain setup
-    if (!meshOutput) {
-      auto &setup = domain->getSetup();
-      fout.write(reinterpret_cast<const char *>(&setup), sizeof(setup));
-    }
+    auto &setup = domain->getSetup();
+    setup.serialize(fout);
 
     // Write number of level sets
     auto &levelSets = domain->getLevelSets();
@@ -108,14 +103,7 @@ VIENNAPS_TEMPLATE_ND(NumericType, D) class Writer {
       // Write each material by canonical name for stable cross-run I/O.
       for (size_t i = 0; i < numMaterials; i++) {
         const auto material = materialMap->getMaterialAtIdx(i);
-        std::string materialName;
-        if (material.isBuiltIn()) {
-          materialName = MaterialMap::toString(material);
-        } else {
-          materialName =
-              std::string(MaterialRegistry::instance().getName(material));
-        }
-
+        std::string materialName = MaterialMap::toString(material);
         const auto nameLength = static_cast<uint32_t>(materialName.size());
         fout.write(reinterpret_cast<const char *>(&nameLength),
                    sizeof(uint32_t));

python/CMakeLists.txt

@@ -116,9 +116,12 @@ add_dependencies(${PROJECT_NAME} ${VIENNAPS_PYTHON_MODULE_NAME})
 
 set(VIENNAPS_LIB_FOLDER "${VIENNAPS_LIBRARY_OUTPUT_DIR}/${VIENNAPS_PYTHON_PACKAGE_NAME}.libs")
 
-viennacore_setup_embree_env(${VIENNAPS_PYTHON_MODULE_NAME} "${VIENNAPS_LIB_FOLDER}")
-viennacore_setup_vtk_env(${VIENNAPS_PYTHON_MODULE_NAME} "${VIENNAPS_LIB_FOLDER}")
-viennacore_setup_tbb_env(${VIENNAPS_PYTHON_MODULE_NAME} "${VIENNAPS_LIB_FOLDER}")
+if(VIENNAPS_PACKAGE_PYTHON OR MSVC)
+  # Copy the required libraries to the lib folder, this is required for packaging and on Windows
+  viennacore_setup_embree_env(${VIENNAPS_PYTHON_MODULE_NAME} "${VIENNAPS_LIB_FOLDER}")
+  viennacore_setup_vtk_env(${VIENNAPS_PYTHON_MODULE_NAME} "${VIENNAPS_LIB_FOLDER}")
+  viennacore_setup_tbb_env(${VIENNAPS_PYTHON_MODULE_NAME} "${VIENNAPS_LIB_FOLDER}")
+endif()
 
 install(
   DIRECTORY ${VIENNAPS_LIB_FOLDER}

python/__init__.py

@@ -17,11 +17,11 @@ def _windows_dll_path():
     ]
 
     for path in additional_paths:
-        if not os.path.exists(path):
-            continue
-
-        os.add_dll_directory(path)
-        os.environ["PATH"] = path + os.pathsep + os.environ["PATH"]
+        if os.path.isdir(path):
+            os.add_dll_directory(path)
+            os.environ["PATH"] = path + os.pathsep + os.environ["PATH"]
+        else:
+            print(f"Warning: DLL path {path} does not exist.")
 
 
 def _module_ptx_path():

python/pyWrapDimension.hpp

@@ -1437,9 +1437,6 @@ template <int D> void bindApi(py::module &module) {
            "Set the domain to be written to a file.")
       .def("setFileName", &Writer<T, D>::setFileName,
            "Set the output file name (should end with .vpsd).")
-      .def("setMeshOutput", &Writer<T, D>::setMeshOutput,
-           "Set wether Domain should be further processed in the ViennaMesh "
-           "mesher.")
       .def("apply", &Writer<T, D>::apply,
            "Write the domain to the specified file.");
 

python/viennaps/d2/__init__.pyi

@@ -1061,7 +1061,3 @@ class Writer:
         """
         Set the output file name (should end with .vpsd).
         """
-    def setMeshOutput(self, arg0: bool) -> None:
-        """
-        Set wether Domain should be further processed in the ViennaMesh mesher.
-        """

python/viennaps/d3/__init__.pyi

@@ -1061,7 +1061,3 @@ class Writer:
         """
         Set the output file name (should end with .vpsd).
         """
-    def setMeshOutput(self, arg0: bool) -> None:
-        """
-        Set wether Domain should be further processed in the ViennaMesh mesher.
-        """

vcpkg.json

@@ -0,0 +1,9 @@
+{
+  "name": "viennaps-ci",
+  "version-string": "4.3.0",
+  "dependencies": [
+    "vtk",
+    "embree"
+  ],
+  "builtin-baseline": "c3867e714dd3a51c272826eea77267876517ed99"
+}