[WIP] Get site_packages path with pybind11 API in C++ backend

.github/workflows/tests_gpu_cpp.yml

@@ -149,8 +149,8 @@ jobs:
             -G Ninja
           cmake --build ./Build
           cd ./Build
-          mkdir -p ./tests/results_${{ github.job }}_${{ matrix.pl_backend }}
-          for file in *runner ; do ./$file --order lex --reporter junit --out ./tests/results_${{ github.job }}_${{ matrix.pl_backend }}/report_$file.xml; done;
+          mkdir -p ./tests/results_${{ github.job }}_${{ matrix.pl_backend }}-${{ matrix.enable_lapack }}
+          for file in *runner ; do ./$file --order lex --reporter junit --out ./tests/results_${{ github.job }}_${{ matrix.pl_backend }}-${{ matrix.enable_lapack }}/report_$file.xml; done;
           lcov --directory . -b ../pennylane_lightning/core/src --capture --output-file coverage.info
           lcov --remove coverage.info '/usr/*' --output-file coverage.info
           mv coverage.info coverage-${{ github.job }}-${{ matrix.pl_backend }}.info

.github/workflows/tests_linux_cpp.yml

@@ -54,12 +54,11 @@ jobs:
         pl_backend: ["lightning_qubit"]
         enable_kernel_omp: ["OFF", "ON"]
         enable_kernel_avx_streaming: ["OFF", "ON"]
-        enable_lapack: ["OFF", "ON"]
         exclude:
         - enable_kernel_omp: OFF
           enable_kernel_avx_streaming: ON
     timeout-minutes: 60
-    name: C++ Tests (${{ matrix.pl_backend }}, ENABLE_KERNEL_OMP=${{ matrix.enable_kernel_omp }}, ENABLE_KERNEL_AVX_STREAMING=${{ matrix.enable_kernel_avx_streaming }}), ENABLE_LAPACK=${{ matrix.enable_lapack }})
+    name: C++ Tests (${{ matrix.pl_backend }}, ENABLE_KERNEL_OMP=${{ matrix.enable_kernel_omp }}, ENABLE_KERNEL_AVX_STREAMING=${{ matrix.enable_kernel_avx_streaming }})
     runs-on: ${{ needs.determine_runner.outputs.runner_group }}
 
     steps:
@@ -74,15 +73,14 @@ jobs:
       - name: Install dependencies
         run: |
             echo ${{ github.event_name }} && sudo apt-get update && sudo apt-get -y -q install cmake gcc-$GCC_VERSION  g++-$GCC_VERSION ninja-build gcovr lcov
-            python -m pip install scipy
+            python -m pip install scipy pybind11
 
       - name: Build and run unit tests
         run: |
             cmake . -BBuild -G Ninja \
               -DCMAKE_BUILD_TYPE=Debug \
               -DBUILD_TESTS=ON \
               -DENABLE_PYTHON=OFF \
-              -DENABLE_LAPACK=${{ matrix.enable_lapack }} \
               -DPL_BACKEND=${{ matrix.pl_backend }} \
               -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION) \
               -DENABLE_COVERAGE=ON \
@@ -225,10 +223,11 @@ jobs:
       - name: Install dependencies
         run: |
           sudo apt-get update && sudo apt-get -y -q install cmake gcc-$GCC_VERSION  g++-$GCC_VERSION ninja-build gcovr lcov
-          python -m pip install scipy
+          python -m pip install scipy pybind11
 
       - name: Build and run unit tests
         run: |
+            set -x
             cmake . -BBuild -G Ninja \
               -DCMAKE_BUILD_TYPE=Debug \
               -DBUILD_TESTS=ON \
@@ -244,6 +243,7 @@ jobs:
             lcov --directory . -b ../pennylane_lightning/core/src --capture --output-file coverage.info
             lcov --remove coverage.info '/usr/*' --output-file coverage.info
             mv coverage.info coverage-${{ github.job }}-${{ matrix.pl_backend }}.info
+            set +x
 
       - name: Upload test results
         uses: actions/upload-artifact@v4

.github/workflows/tests_lkcuda_cpp.yml

@@ -115,9 +115,8 @@ jobs:
         pl_backend: ["lightning_kokkos"]
         exec_model: ["CUDA"]
         kokkos_version: ["4.3.01"]
-        enable_lapack: ["OFF", "ON"]
 
-    name: C++ Tests (${{ matrix.pl_backend }}, kokkos-${{ matrix.kokkos_version }}, model-${{ matrix.exec_model }}), enable_lapack-${{ matrix.enable_lapack }}
+    name: C++ Tests (${{ matrix.pl_backend }}, kokkos-${{ matrix.kokkos_version }}, model-${{ matrix.exec_model }})
     runs-on:
       - ${{ matrix.os }}
       - self-hosted
@@ -186,7 +185,10 @@ jobs:
 
 
       - name: Install dependencies
-        run: sudo apt-get update && sudo apt-get -y -q install cmake gcc-$GCC_VERSION  g++-$GCC_VERSION  ninja-build gcovr lcov
+        run: |
+          sudo apt-get update && sudo apt-get -y -q install cmake gcc-$GCC_VERSION  g++-$GCC_VERSION  ninja-build gcovr lcov
+          python -m pip install scipy pybind11
+
 
       - name: Build and run unit tests
         run: |
@@ -195,7 +197,6 @@ jobs:
             -DCMAKE_BUILD_TYPE=Debug \
             -DBUILD_TESTS=ON \
             -DENABLE_PYTHON=OFF \
-            -DENABLE_LAPACK=${{ matrix.enable_lapack }} \
             -DCMAKE_PREFIX_PATH=${{ github.workspace }}/Kokkos \
             -DPL_BACKEND=${{ matrix.pl_backend }} \
             -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION) \

.github/workflows/tests_lqcpu_python.yml

@@ -86,7 +86,7 @@ jobs:
       - name: Install dependencies
         run: |
           sudo apt-get update && sudo apt-get -y -q install cmake gcc-$GCC_VERSION g++-$GCC_VERSION libopenblas-base libopenblas-dev
-          python -m pip install scipy wheel
+          python -m pip install scipy wheel pybind11
 
       - name: Get required Python packages
         run: |

.github/workflows/tests_windows_cpp.yml

@@ -124,7 +124,7 @@ jobs:
 
       - name: Install dependencies
         run: |
-          python -m pip install cmake build ninja scipy
+          python -m pip install cmake build ninja scipy pybind11
 
       - name: Setup OpenCppCoverage and add to PATH
         run: |
@@ -202,7 +202,7 @@ jobs:
 
       - name: Install dependencies
         run: |
-          python -m pip install cmake build ninja
+          python -m pip install cmake build ninja scipy
 
       - name: Checkout PennyLane-Lightning
         uses: actions/checkout@v4

.github/workflows/wheel_macos_x86_64.yml

@@ -150,11 +150,12 @@
           CIBW_ENVIRONMENT: |
             CMAKE_ARGS="-DCMAKE_BUILD_TYPE=Release"
 
-          PL_BACKEND: ${{ matrix.pl_backend }}
+          CIBW_ENVIRONMENT: |
+            PL_BACKEND="${{ matrix.pl_backend }}"
 
           CIBW_BEFORE_TEST: |
             python -m pip install -r requirements-tests.txt
             if ${{ matrix.pl_backend == 'lightning_kokkos'}}
             then
               PL_BACKEND="lightning_qubit" python scripts/configure_pyproject_toml.py
               SKIP_COMPILATION=True python -m pip install . -vv

CMakeLists.txt

@@ -45,9 +45,7 @@ option(ENABLE_CLANG_TIDY "Enable clang-tidy build checks" OFF)
 option(ENABLE_COVERAGE "Enable code coverage" OFF)
 option(ENABLE_WARNINGS "Enable warnings" ON)
 option(ENABLE_NATIVE "Enable native CPU build tuning" OFF)
-option(ENABLE_PYTHON "Enable compilation of the Python module" ON)
-
-option(ENABLE_LAPACK "Enable compilation with scipy/LAPACK" OFF)
+option(ENABLE_PYTHON "Enable compilation of the Python module" OFF)
 
 # OpenMP
 find_package(OpenMP)
@@ -85,32 +83,8 @@ list(APPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake")
 include("${CMAKE_CURRENT_SOURCE_DIR}/cmake/process_options.cmake")
 
 set(CMAKE_POLICY_DEFAULT_CMP0127 NEW) # To suppress pybind11 CMP0127 warning
-# Add pybind11
-include(FetchContent)
-
-if(ENABLE_LAPACK)
-    find_package(Python COMPONENTS Interpreter Development)
-    set(SCIPYLIBS ${Python_SITELIB})
-
-    if(CMAKE_SYSTEM_NAME MATCHES "Darwin")
-        set(SCIPYLIBS "/System/Library/Frameworks/Accelerate.framework/Versions/Current/Frameworks/vecLib.framework/libLAPACK.dylib")
-    elseif(CMAKE_SYSTEM_NAME MATCHES "Linux")
-        if(EXISTS ${SCIPYLIBS}/scipy.libs)
-            set(SCIPYLIBS ${SCIPYLIBS}/scipy.libs)
-        else()
-            # Fallback to the lib path of Python for `conda` support
-            set(SCIPYLIBS ${SCIPYLIBS}/../..)
-        endif()
-    elseif(CMAKE_SYSTEM_NAME MATCHES "Windows")
-    else()
-        message(FATAL_ERROR "Unsupported platform: ${CMAKE_SYSTEM_NAME}")
-    endif()
-
-    add_compile_definitions(SCIPY_LIBS_PATH="${SCIPYLIBS}")
-
-    message(STATUS "Python scipy-lib path: ${SCIPYLIBS}")
-endif()
 
+include(FetchContent)
 if(ENABLE_PYTHON)
     find_package(Python COMPONENTS Interpreter Development)
     FetchContent_Declare(pybind11
@@ -120,8 +94,20 @@ if(ENABLE_PYTHON)
     FetchContent_MakeAvailable(pybind11)
 endif()
 
-# Print Python site-packages directory for reference
-message("Python site-packages directory: ${Python_SITELIB}")
+if(SCIPY_LIBS_PATH AND NOT ENABLE_PYTHON)
+    add_compile_definitions(_SCIPY_LIBS_PATH="${SCIPY_LIBS_PATH}")
+    message(STATUS "SCIPY_LIBS_PATH: ${SCIPY_LIBS_PATH}")
+elseif(ENABLE_PYTHON AND SCIPY_LIBS_PATH)
+    message(FATAL_ERROR "SCIPY_LIBS_PATH is only supported when ENABLE_PYTHON is OFF.")
+endif()
+
+FetchContent_Declare(pybind11
+    GIT_REPOSITORY https://github.com/pybind/pybind11.git
+    GIT_TAG        v2.11.1
+)
+
+FetchContent_MakeAvailable(pybind11)
+
 
 set (CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR})
 

cmake/process_options.cmake

@@ -100,7 +100,3 @@ if (UNIX AND (${CMAKE_SYSTEM_PROCESSOR} MATCHES "(AMD64)|(X64)|(x64)|(x86_64)"))
     message(STATUS "ENABLE AVX for X64 on UNIX compatible system.")
     target_compile_options(lightning_compile_options INTERFACE -mavx)
 endif()
-
-if(ENABLE_LAPACK)
-    target_compile_options(lightning_compile_options INTERFACE "-DPL_USE_LAPACK=1")
-endif()

pennylane_lightning/core/_version.py

@@ -16,4 +16,4 @@
    Version number (major.minor.patch[-label])
 """
 
-__version__ = "0.39.0-dev32"
+__version__ = "0.39.0-dev33"

pennylane_lightning/core/src/measurements/tests/Test_MeasurementsBase.cpp

@@ -574,7 +574,6 @@ TEST_CASE("Expval Shot- NamedObs", "[MeasurementsBase][Observables]") {
     }
 }
 
-#ifdef PL_USE_LAPACK
 template <typename TypeList> void testHermitianObsExpvalShot() {
     if constexpr (!std::is_same_v<TypeList, void>) {
         using StateVectorT = typename TypeList::Type;
@@ -677,7 +676,6 @@ TEST_CASE("Expval Shot - HermitianObs ", "[MeasurementsBase][Observables]") {
         testHermitianObsExpvalShot<TestStateVectorBackends>();
     }
 }
-#endif
 
 template <typename TypeList> void testHermitianObsExpval() {
     if constexpr (!std::is_same_v<TypeList, void>) {
@@ -843,7 +841,6 @@ template <typename TypeList> void testTensorProdObsExpvalShot() {
                                      expected, static_cast<PrecisionT>(0.20)));
         }
 
-#ifdef PL_USE_LAPACK
         DYNAMIC_SECTION(" With Identity and shots_range"
                         << StateVectorToName<StateVectorT>::name) {
             std::size_t num_shots = 80000;
@@ -864,7 +861,6 @@ template <typename TypeList> void testTensorProdObsExpvalShot() {
             REQUIRE_THAT(result, Catch::Matchers::WithinRel(
                                      expected, static_cast<PrecisionT>(0.20)));
         }
-#endif
 
         testTensorProdObsExpvalShot<typename TypeList::Next>();
     }
@@ -1015,7 +1011,6 @@ TEST_CASE("Var - HermitianObs", "[MeasurementsBase][Observables]") {
     }
 }
 
-#ifdef PL_USE_LAPACK
 template <typename TypeList> void testHermitianObsShotVar() {
     if constexpr (!std::is_same_v<TypeList, void>) {
         using StateVectorT = typename TypeList::Type;
@@ -1100,7 +1095,6 @@ TEST_CASE("Var - HermitianObs Shot", "[MeasurementsBase][Observables]") {
         testHermitianObsShotVar<TestStateVectorBackends>();
     }
 }
-#endif
 
 template <typename TypeList> void testTensorProdObsVarShot() {
     if constexpr (!std::is_same_v<TypeList, void>) {
@@ -1151,7 +1145,6 @@ template <typename TypeList> void testTensorProdObsVarShot() {
                                      expected, static_cast<PrecisionT>(0.20)));
         }
 
-#ifdef PL_USE_LAPACK
         DYNAMIC_SECTION("With Hermitian and NameObs"
                         << StateVectorToName<StateVectorT>::name) {
             using MatrixT = std::vector<ComplexT>;
@@ -1201,7 +1194,6 @@ template <typename TypeList> void testTensorProdObsVarShot() {
             REQUIRE_THAT(result, Catch::Matchers::WithinRel(
                                      expected, static_cast<PrecisionT>(0.20)));
         }
-#endif
 
         DYNAMIC_SECTION(" full wires with apply operations"
                         << StateVectorToName<StateVectorT>::name) {
@@ -1559,7 +1551,6 @@ template <typename TypeList> void testHamiltonianObsExpvalShot() {
             REQUIRE_THAT(res, Catch::Matchers::WithinRel(
                                   expected, static_cast<PrecisionT>(0.20)));
         }
-#ifdef PL_USE_LAPACK
         DYNAMIC_SECTION("YHer" << StateVectorToName<StateVectorT>::name) {
             auto Y0 = std::make_shared<NamedObs<StateVectorT>>(
                 "PauliY", std::vector<std::size_t>{0});
@@ -1580,7 +1571,6 @@ template <typename TypeList> void testHamiltonianObsExpvalShot() {
             REQUIRE_THAT(res, Catch::Matchers::WithinRel(
                                   expected, static_cast<PrecisionT>(0.20)));
         }
-#endif
 
         testHamiltonianObsExpvalShot<typename TypeList::Next>();
     }
@@ -1640,7 +1630,6 @@ template <typename TypeList> void testHamiltonianObsVarShot() {
                                   expected, static_cast<PrecisionT>(0.20)));
         }
 
-#ifdef PL_USE_LAPACK
         DYNAMIC_SECTION("YHer" << StateVectorToName<StateVectorT>::name) {
             using ComplexT = typename StateVectorT::ComplexT;
             auto Y0 = std::make_shared<NamedObs<StateVectorT>>(
@@ -1669,7 +1658,6 @@ template <typename TypeList> void testHamiltonianObsVarShot() {
             REQUIRE_THAT(res, Catch::Matchers::WithinRel(
                                   expected, static_cast<PrecisionT>(0.20)));
         }
-#endif
 
         testHamiltonianObsVarShot<typename TypeList::Next>();
     }