459 restructure directories

.github/workflows/VersionConsistencyCheck.yml

@@ -4,13 +4,13 @@ on:
   pull_request:
     branches: [main]
     paths:
-      - 'include/sparseir/version.h'
+      - 'backend/cxx/include/sparseir/version.h'
       - 'python/pyproject.toml'
       - 'update_version.py'
   push:
     branches: [main]
     paths:
-      - 'include/sparseir/version.h'
+      - 'backend/cxx/include/sparseir/version.h'
       - 'python/pyproject.toml'
       - 'update_version.py'
 

.github/workflows/test_cxx_backend.yml

@@ -0,0 +1,38 @@
+name: Test C++ Backend
+
+on:
+  push:
+    branches: [ "main", "459-restructure-directories" ]
+  pull_request:
+    branches: [ "main" ]
+  workflow_dispatch:
+
+jobs:
+  test-cxx-backend:
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: [ubuntu-latest, macos-latest]
+
+    steps:
+      - uses: actions/checkout@v5
+
+      - name: Install dependencies (Ubuntu)
+        if: runner.os == 'Linux'
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y cmake libopenblas-dev libeigen3-dev
+
+      - name: Install dependencies (macOS)
+        if: runner.os == 'macOS'
+        run: |
+          brew install cmake eigen openblas
+
+      - name: Build and test C++ backend
+        working-directory: backend/cxx
+        run: ./build_capi_with_tests.sh
+
+      - name: Build and test capi_test against backend
+        working-directory: capi_test
+        run: ./test_with_cxx_backend.sh
+

.github/workflows/test_fortran.yml

@@ -0,0 +1,58 @@
+name: Test Fortran Bindings
+
+on:
+  push:
+    branches: [ "main", "459-restructure-directories" ]
+  pull_request:
+    branches: [ "main" ]
+  workflow_dispatch:
+
+jobs:
+  test-fortran-gcc:
+    runs-on: ubuntu-latest
+    name: Fortran with GCC/gfortran
+
+    steps:
+      - uses: actions/checkout@v5
+
+      - name: Install dependencies
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y cmake gfortran libopenblas-dev libeigen3-dev
+
+      - name: Build and test Fortran bindings with GCC
+        working-directory: fortran
+        run: ./test_with_cxx_backend.sh
+
+  test-fortran-intel:
+    runs-on: ubuntu-latest
+    name: Fortran with Intel compilers
+
+    steps:
+      - uses: actions/checkout@v5
+
+      - name: Install Intel oneAPI
+        run: |
+          # Download Intel oneAPI GPG public key
+          wget -O- https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB | gpg --dearmor | sudo tee /usr/share/keyrings/oneapi-archive-keyring.gpg > /dev/null
+
+          # Add Intel oneAPI repository
+          echo "deb [signed-by=/usr/share/keyrings/oneapi-archive-keyring.gpg] https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
+
+          # Update and install Intel oneAPI compilers and MKL
+          sudo apt-get update
+          sudo apt-get install -y intel-oneapi-compiler-dpcpp-cpp intel-oneapi-compiler-fortran intel-oneapi-mkl-devel
+
+      - name: Install dependencies
+        run: |
+          sudo apt-get install -y cmake libeigen3-dev
+
+      - name: Build and test Fortran bindings with Intel
+        working-directory: fortran
+        run: |
+          source /opt/intel/oneapi/setvars.sh
+          export CC=icx
+          export CXX=icpx
+          export FC=ifx
+          ./test_with_cxx_backend.sh
+

.github/workflows/test_python.yml

@@ -0,0 +1,68 @@
+name: Test Python Bindings
+
+on:
+  push:
+    branches:
+      - main
+      - 459-restructure-directories
+  pull_request:
+    branches:
+      - main
+  workflow_dispatch:
+
+jobs:
+  test-python:
+    name: Test Python on ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-latest, macos-latest]
+        python-version: ['3.10', '3.11', '3.12']
+
+    steps:
+      - name: Checkout code
+        uses: actions/checkout@v5
+
+      - name: Install system dependencies (Ubuntu)
+        if: runner.os == 'Linux'
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y \
+            libeigen3-dev \
+            libopenblas-dev \
+            libblas-dev \
+            liblapack-dev
+
+      - name: Install system dependencies (macOS)
+        if: runner.os == 'macOS'
+        run: |
+          brew install eigen openblas
+
+      - name: Install uv and set the python version
+        uses: astral-sh/setup-uv@v7
+        with:
+          version: "0.8.15"
+          python-version: ${{ matrix.python-version }}
+
+      - name: Enable caching
+        uses: astral-sh/setup-uv@v7
+        with:
+          enable-cache: true
+
+      - name: Setup build environment
+        working-directory: python
+        run: python3 setup_build.py
+
+      - name: Run uv sync
+        working-directory: python
+        run: uv sync
+        env:
+          SPARSEIR_USE_BLAS: 1
+
+      - name: Run tests
+        working-directory: python
+        run: uv run pytest tests/ -v
+        env:
+          SPARSEIR_USE_BLAS: 1
+

.gitignore

@@ -33,6 +33,7 @@
 
 # CMake
 build
+work_cxx
 
 .DS_Store
 .vscode/settings.json

CMakeLists.txt

@@ -16,7 +16,7 @@ include(GNUInstallDirs)
 if (NOT SPARSEIR_VERSION)
     include("VersionFromHeader")
     version_from_header(SPARSEIR_VERSION
-        HEADER "include/sparseir/version.h"
+        HEADER "backend/cxx/include/sparseir/version.h"
         MACROS SPARSEIR_VERSION_MAJOR SPARSEIR_VERSION_MINOR SPARSEIR_VERSION_PATCH
         )
     message(STATUS "Extracted package version: ${SPARSEIR_VERSION}")
@@ -156,24 +156,24 @@ endif()
 set(CMAKE_INSTALL_DEFAULT_COMPONENT_NAME sparseir)
 
 add_library(sparseir SHARED
-    src/utils.cpp
-    src/linalg.cpp
-    src/root.cpp
-    src/specfuncs.cpp
-    src/svd.cpp
-    src/sve.cpp
-    src/poly.cpp
-    src/kernel.cpp
-    src/gemm.cpp
-    src/cinterface.cpp
+    backend/cxx/src/utils.cpp
+    backend/cxx/src/linalg.cpp
+    backend/cxx/src/root.cpp
+    backend/cxx/src/specfuncs.cpp
+    backend/cxx/src/svd.cpp
+    backend/cxx/src/sve.cpp
+    backend/cxx/src/poly.cpp
+    backend/cxx/src/kernel.cpp
+    backend/cxx/src/gemm.cpp
+    backend/cxx/src/cinterface.cpp
     )
 if(NOT MSVC)
     target_compile_options(sparseir PRIVATE -Wall -Wextra -pedantic)
 endif()
 
 target_include_directories(sparseir
     PUBLIC
-        $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>
+        $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/backend/cxx/include>
         $<INSTALL_INTERFACE:include>
     PRIVATE
         $<BUILD_INTERFACE:${xprec_SOURCE_DIR}/include>
@@ -235,8 +235,14 @@ if (SPARSEIR_BUILD_TESTING)
     )
     FetchContent_MakeAvailable(Catch2)
 
-    # Add test directory
-    add_subdirectory("test")
+    # Add test directories
+    add_subdirectory("backend/cxx/test")
+    add_subdirectory("backend/capi_test")
+
+    # Add Fortran test directory if Fortran is enabled
+    if(SPARSEIR_BUILD_FORTRAN)
+        add_subdirectory("fortran/test")
+    endif()
 endif()
 
 # -------------------------------------
@@ -253,9 +259,9 @@ install(TARGETS sparseir
 
 # Install only necessary header files (C API)
 install(FILES
-    include/sparseir/sparseir.h
-    include/sparseir/version.h
-    include/sparseir/spir_status.h
+    backend/cxx/include/sparseir/sparseir.h
+    backend/cxx/include/sparseir/version.h
+    backend/cxx/include/sparseir/spir_status.h
     DESTINATION "${SPARSEIR_INSTALL_INCLUDEDIR}/sparseir"
     COMPONENT sparseir
 )

back/build_capi_with_asan.sh

@@ -0,0 +1,30 @@
+#!/bin/bash
+set -e
+
+# Get script directory
+SCRIPT_DIR="$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )"
+cd "$SCRIPT_DIR"
+
+# Create build directory
+mkdir -p build
+cd build
+
+# Configure with tests enabled
+cmake .. \
+  -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX:-$HOME/opt/libsparseir} \
+  -DCMAKE_BUILD_TYPE=Debug \
+  -DCMAKE_C_FLAGS="-w -fsanitize=address -static-libasan" \
+  -DCMAKE_CXX_FLAGS="-w -fsanitize=address -static-libasan" \
+  -DCMAKE_EXE_LINKER_FLAGS="-static-libasan" \
+  -DSPARSEIR_BUILD_FORTRAN=OFF \
+  -DSPARSEIR_BUILD_TESTING=OFF \
+  -DSPARSEIR_USE_BLAS=ON
+
+# Build (including tests)
+cmake --build . --config Release -j 4
+
+# Run tests
+ctest --output-on-failure
+
+echo "SparseIR was built with tests successfully."
+echo "You can install it using: cd build && cmake --install ." 

back/build_optimized.sh

@@ -0,0 +1,32 @@
+#!/bin/bash
+set -e
+
+# Get script directory
+SCRIPT_DIR="$( cd "$( dirname "${BASH_SOURCE[0]}" )" && pwd )"
+cd "$SCRIPT_DIR"
+
+# Clean build directory to ensure clean state
+rm -rf build
+mkdir -p build
+cd build
+
+# Configure with maximum optimization for benchmarking
+cmake .. \
+  -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX:-$HOME/opt/libsparseir} \
+  -DSPARSEIR_BUILD_FORTRAN=ON \
+  -DSPARSEIR_BUILD_TESTING=OFF \
+  -DSPARSEIR_USE_BLAS=OFF \
+  -DBUILD_TESTING=OFF \
+  -DCMAKE_BUILD_TYPE=Release \
+  -DCMAKE_CXX_FLAGS="-O3 -DNDEBUG -g0 -march=native" \
+  -DCMAKE_EXE_LINKER_FLAGS="-flto" \
+  -DCMAKE_VERBOSE_MAKEFILE=ON
+
+# Build with maximum parallelization
+cmake --build . --config Release -- -j $(nproc)
+
+# Install
+cmake --install .
+
+echo "Optimized SparseIR library has been built and installed successfully."
+echo "Debug symbols removed, maximum optimization enabled."