Add '-DSPARSEIR_USE_BLAS=ON', to python/setup.py # Enable BLAS support

.github/workflows/CI_C_API_Python.yml

@@ -9,15 +9,23 @@ on:
 jobs:
   test:
     name: Test
-    runs-on: ubuntu-latest
+    runs-on: ${{ matrix.os }}
     strategy:
       matrix:
+        os: [ubuntu-latest, macos-latest]
         python-version:
           - "3.10"
           - "3.11"
           - "3.12"
 
     steps:
+      - name: Install dependencies (Linux)
+        if: runner.os == 'Linux'
+        run: sudo apt update && sudo apt install -y libeigen3-dev libopenblas-dev
+
+      - name: Install dependencies (macOS)
+        if: runner.os == 'macOS'
+        run: brew install eigen openblas
       - uses: actions/checkout@v4
       - name: Install uv and set the python version
         uses: astral-sh/setup-uv@v6
@@ -33,8 +41,12 @@ jobs:
       - name: Run uv sync
         run: uv sync
         working-directory: python
+        env:
+          SPARSEIR_USE_BLAS: 1
 
       - name: Run tests
         # For example, using `pytest`
         run: uv run pytest tests
         working-directory: python
+        env:
+          SPARSEIR_USE_BLAS: 1

.github/workflows/PublishPyPI.yml

@@ -3,6 +3,8 @@ name: Python Build & Publish (Trusted)
 on:
   push:
     tags: ["v*"]     # 例: v0.1.0 を push で発火
+  #pull_request: # for debugging
+  #  branches: [main] # for debugging
   workflow_dispatch:
 
 jobs:
@@ -11,14 +13,69 @@ jobs:
     strategy:
       matrix:
         include:
+          # Linux builds
           - os: ubuntu-latest
             cibw_archs: "auto"
-          #- os: windows-latest
-          #  cibw_archs: "AMD64"
+            deployment_target: ""
+            openblas_path: ""
+            py_tag: "cp310"
+          - os: ubuntu-latest
+            cibw_archs: "auto"
+            deployment_target: ""
+            openblas_path: ""
+            py_tag: "cp311"
+          - os: ubuntu-latest
+            cibw_archs: "auto"
+            deployment_target: ""
+            openblas_path: ""
+            py_tag: "cp312"
+          - os: ubuntu-latest
+            cibw_archs: "auto"
+            deployment_target: ""
+            openblas_path: ""
+            py_tag: "cp313"
+          # macOS Intel builds
+          - os: macos-13  # Intel Mac
+            cibw_archs: "x86_64"
+            deployment_target: "13.0"
+            openblas_path: "/usr/local/opt/openblas"
+            py_tag: "cp310"
+          - os: macos-13  # Intel Mac
+            cibw_archs: "x86_64"
+            deployment_target: "13.0"
+            openblas_path: "/usr/local/opt/openblas"
+            py_tag: "cp311"
+          - os: macos-13  # Intel Mac
+            cibw_archs: "x86_64"
+            deployment_target: "13.0"
+            openblas_path: "/usr/local/opt/openblas"
+            py_tag: "cp312"
           - os: macos-13  # Intel Mac
             cibw_archs: "x86_64"
+            deployment_target: "13.0"
+            openblas_path: "/usr/local/opt/openblas"
+            py_tag: "cp313"
+          # macOS Apple Silicon builds
+          - os: macos-latest  # Apple Silicon Mac
+            cibw_archs: "arm64"
+            deployment_target: "15.0"
+            openblas_path: "/opt/homebrew/opt/openblas"
+            py_tag: "cp310"
+          - os: macos-latest  # Apple Silicon Mac
+            cibw_archs: "arm64"
+            deployment_target: "15.0"
+            openblas_path: "/opt/homebrew/opt/openblas"
+            py_tag: "cp311"
+          - os: macos-latest  # Apple Silicon Mac
+            cibw_archs: "arm64"
+            deployment_target: "15.0"
+            openblas_path: "/opt/homebrew/opt/openblas"
+            py_tag: "cp312"
           - os: macos-latest  # Apple Silicon Mac
             cibw_archs: "arm64"
+            deployment_target: "15.0"
+            openblas_path: "/opt/homebrew/opt/openblas"
+            py_tag: "cp313"
     steps:
       - uses: actions/checkout@v4
       - name: remove python/.gitignore
@@ -30,16 +87,23 @@ jobs:
           CIBW_DEPENDENCY_VERSIONS: "latest"
           CIBW_BUILD_VERBOSITY: 1
           CIBW_MANYLINUX_X86_64_IMAGE: "manylinux_2_28"
-          CIBW_ENVIRONMENT_MACOS: "MACOSX_DEPLOYMENT_TARGET=11.0"
+          CIBW_BUILD: "${{ matrix.py_tag }}-*"
+          CIBW_ENVIRONMENT_MACOS: "MACOSX_DEPLOYMENT_TARGET=${{ matrix.deployment_target || '11.0' }} SPARSEIR_USE_BLAS=1"
           CIBW_ARCHS: ${{ matrix.cibw_archs }}
           CIBW_SKIP: "*-manylinux_i686 *-musllinux_i686"
-          # CIBW_BUILD: "cp312-*"
+          # Install OpenBLAS using micromamba (conda-forge) - separate for manylinux and musllinux
+          CIBW_BEFORE_ALL_MANYLINUX: "curl -Ls https://micro.mamba.pm/api/micromamba/linux-64/latest | tar -xvj bin/micromamba && ./bin/micromamba create -y -p /opt/openblas && ./bin/micromamba install -y -c conda-forge openblas -p /opt/openblas --no-deps"
+          CIBW_BEFORE_ALL_MUSLLINUX: "apk add --no-cache bzip2 && curl -Ls https://micro.mamba.pm/api/micromamba/linux-64/latest | tar -xvj bin/micromamba && ./bin/micromamba create -y -p /opt/openblas && ./bin/micromamba install -y -c conda-forge openblas -p /opt/openblas --no-deps"
+          CIBW_BEFORE_ALL_MACOS: "brew install openblas"
+          # Set environment variables to help CMake find OpenBLAS
+          CIBW_ENVIRONMENT_MANYLINUX: "SPARSEIR_USE_BLAS=1"
+          CIBW_ENVIRONMENT_MUSLLINUX: "SPARSEIR_USE_BLAS=1"
         with:
           package-dir: ./python
           output-dir: dist
       - uses: actions/upload-artifact@v4
         with:
-          name: wheels-${{ matrix.os }}-${{ matrix.cibw_archs }}
+          name: wheels-${{ matrix.os }}-${{ matrix.cibw_archs }}-${{ matrix.py_tag }}
           path: dist/*
 
   publish-testpypi:

python/README.md

@@ -9,6 +9,13 @@ This is a low-level binding for the [libsparseir](https://github.com/SpM-lab/lib
 - C++11 compatible compiler
 - numpy
 
+### Optional Dependencies
+
+- **OpenBLAS** (recommended for better performance)
+  - macOS: `brew install openblas`
+  - Ubuntu/Debian: `sudo apt install libopenblas-dev`
+  - CentOS/RHEL: `sudo yum install openblas-devel`
+
 ## Build
 
 ### Install Dependencies and Build
@@ -22,6 +29,30 @@ This will:
 - Build the C++ libsparseir library using CMake
 - Install the Python package in development mode
 
+### Build with OpenBLAS Support
+
+To enable OpenBLAS support for improved performance:
+
+```bash
+# Set environment variable to enable BLAS
+export SPARSEIR_USE_BLAS=1
+uv sync
+```
+
+Or for a single build:
+
+```bash
+SPARSEIR_USE_BLAS=1 uv sync
+```
+
+The build system will automatically detect OpenBLAS if it's installed in standard locations. If OpenBLAS is installed in a custom location, you may need to set additional environment variables:
+
+```bash
+export CMAKE_PREFIX_PATH="/path/to/openblas"
+export SPARSEIR_USE_BLAS=1
+uv sync
+```
+
 ### Clean Build Artifacts
 
 To remove build artifacts and files copied from the parent directory:
@@ -35,3 +66,45 @@ This will remove:
 - Copied source files: `include/`, `src/`, `fortran/`, `cmake/`, `CMakeLists.txt`
 - Compiled libraries: `pylibsparseir/*.so`, `pylibsparseir/*.dylib`, `pylibsparseir/*.dll`
 - Cache directories: `pylibsparseir/__pycache__`
+
+## Performance Notes
+
+### BLAS Support
+
+This package supports BLAS libraries for improved linear algebra performance:
+
+- **With OpenBLAS**: Significant performance improvements for matrix operations
+- **Without BLAS**: Uses Eigen's built-in implementations (still efficient, but slower for large matrices)
+
+The build system will automatically detect and use OpenBLAS if available. You can verify BLAS support by checking the build output for messages like:
+
+```
+BLAS support enabled
+Found OpenBLAS at: /opt/homebrew/opt/openblas
+```
+
+### Troubleshooting
+
+**Build fails with "Could NOT find BLAS":**
+```bash
+# Install OpenBLAS first
+brew install openblas  # macOS
+sudo apt install libopenblas-dev  # Ubuntu
+
+# Then force BLAS detection
+SPARSEIR_USE_BLAS=1 uv sync
+```
+
+**OpenBLAS not detected automatically:**
+```bash
+# Set CMake prefix path manually
+export CMAKE_PREFIX_PATH="/usr/local/opt/openblas"  # or your OpenBLAS path
+export SPARSEIR_USE_BLAS=1
+uv sync
+```
+
+**Verify BLAS support in built package:**
+```python
+import pylibsparseir
+# Check build logs or library dependencies to confirm BLAS linking
+```

python/pyproject.toml

@@ -1,6 +1,6 @@
 [project]
 name = "pylibsparseir"
-version = "0.1.1"
+version = "0.1.2"
 description = "Python bindings for the libsparseir library, providing efficient sparse intermediate representation for many-body physics calculations"
 readme = "README.md"
 requires-python = ">=3.10"

python/setup.py

@@ -114,8 +114,85 @@ def run(self):
             '-DCMAKE_CXX_STANDARD_REQUIRED=ON',
         ]
 
-        # Add architecture-specific flags for macOS
+        # Import platform module here before using it
         import platform
+
+        # Only enable BLAS if we can find it or if explicitly requested
+        enable_blas = os.environ.get('SPARSEIR_USE_BLAS', '').lower() in ('1', 'on', 'true', 'yes')
+        if not enable_blas:
+            # Try to detect if BLAS is available
+            blas_paths = [
+                '/usr/lib64/openblas',
+                '/usr/lib/openblas',
+                '/usr/local/lib64/openblas',
+                '/usr/local/lib/openblas',
+                '/opt/homebrew/opt/openblas/lib',
+                '/usr/local/opt/openblas/lib'
+            ]
+
+            for path in blas_paths:
+                if os.path.exists(path):
+                    enable_blas = True
+                    print(f"Found BLAS library path: {path}", flush=True)
+                    break
+
+        if enable_blas:
+            cmake_args.append('-DSPARSEIR_USE_BLAS=ON')
+            print("BLAS support enabled", flush=True)
+
+            # Try to detect and prefer OpenBLAS
+            openblas_found = False
+
+            # Check common OpenBLAS installation paths
+            openblas_paths = []
+            if platform.system() == 'Darwin':
+                openblas_paths = [
+                    '/opt/homebrew/opt/openblas',
+                    '/usr/local/opt/openblas',
+                    '/opt/local'  # MacPorts
+                ]
+            else:  # Linux and others
+                openblas_paths = [
+                    '/usr/local',
+                    '/usr',
+                    '/opt/openblas',
+                    '/usr/lib64/openblas',
+                    '/usr/lib/openblas'
+                ]
+
+            # Look for OpenBLAS
+            for path in openblas_paths:
+                if path.endswith('openblas'):
+                    # Direct path to OpenBLAS directory
+                    lib_path = path
+                    include_path = path.replace('lib', 'include').replace('openblas', '')
+                else:
+                    lib_path = os.path.join(path, 'lib')
+                    include_path = os.path.join(path, 'include')
+
+                # Check for OpenBLAS library
+                possible_libs = [
+                    os.path.join(lib_path, 'libopenblas.dylib'),  # macOS
+                    os.path.join(lib_path, 'libopenblas.so'),     # Linux
+                    os.path.join(lib_path, 'libopenblas.a'),      # Static
+                ]
+
+                if any(os.path.exists(lib) for lib in possible_libs):
+                    print(f"Found OpenBLAS at: {path}", flush=True)
+                    cmake_args.extend([
+                        f'-DCMAKE_PREFIX_PATH={path}',
+                        f'-DBLAS_ROOT={path}',
+                    ])
+                    openblas_found = True
+                    break
+
+            if not openblas_found:
+                print("OpenBLAS not found in standard locations, using system BLAS", flush=True)
+        else:
+            print("BLAS support disabled - no BLAS libraries found", flush=True)
+            openblas_found = False
+
+        # Add architecture-specific flags for macOS
         if platform.system() == 'Darwin':
             # Get the target architecture from environment or system
             target_arch = os.environ.get('ARCHFLAGS', '').replace('-arch ', '')