feat: add Python implementation of accelerated OP (#67)

.github/workflows/build.yml

@@ -41,10 +41,11 @@ env:
   TEST_TORCH_SPECS: "cpu cu116"
 
 jobs:
-  build-sdist:
+  build:
+    name: Build sdist and pure-Python wheel
     runs-on: ubuntu-latest
     if: github.repository == 'metaopt/torchopt' && (github.event_name != 'push' || startsWith(github.ref, 'refs/tags/'))
-    timeout-minutes: 10
+    timeout-minutes: 60
     steps:
       - name: Checkout
         uses: actions/checkout@v3
@@ -55,7 +56,7 @@ jobs:
       - name: Set up Python
         uses: actions/setup-python@v4
         with:
-          python-version: "3.7 - 3.11" # sync with requires-python in pyproject.toml
+          python-version: "3.7 - 3.10" # sync with requires-python in pyproject.toml
           update-environment: true
 
       - name: Set __release__
@@ -71,20 +72,34 @@ jobs:
       - name: Install dependencies
         run: python -m pip install --upgrade pip setuptools wheel build
 
-      - name: Build sdist
-        run: python -m build --sdist
+      - name: Build sdist and pure-Python wheel
+        run: python -m build
+        env:
+          TORCHOPT_NO_EXTENSIONS: "true"
 
       - name: Upload artifact
         uses: actions/upload-artifact@v3
         with:
-          name: sdist
-          path: dist/*.tar.gz
+          name: build
+          path: dist/*
           if-no-files-found: error
 
+      - name: Install dependencies
+        run: |
+          python -m pip install -r tests/requirements.txt
+
+      - name: Install TorchOpt
+        run: |
+          python -m pip install -vvv dist/*.whl
+
+      - name: Test with pytest
+        run: |
+          make pytest
+
   build-wheels-py37:
-    name: Build wheels for Python ${{ matrix.python-version }}
+    name: Build wheels for Python ${{ matrix.python-version }} on ubuntu-latest
     runs-on: ubuntu-latest
-    needs: [build-sdist]
+    needs: [build]
     if: github.repository == 'metaopt/torchopt' && (github.event_name != 'push' || startsWith(github.ref, 'refs/tags/'))
     strategy:
       matrix:
@@ -132,9 +147,9 @@ jobs:
           if-no-files-found: error
 
   build-wheels:
-    name: Build wheels for Python ${{ matrix.python-version }}
+    name: Build wheels for Python ${{ matrix.python-version }} on ubuntu-latest
     runs-on: ubuntu-latest
-    needs: [build-sdist, build-wheels-py37]
+    needs: [build, build-wheels-py37]
     if: github.repository == 'metaopt/torchopt' && (github.event_name != 'push' || startsWith(github.ref, 'refs/tags/'))
     strategy:
       matrix:
@@ -183,7 +198,7 @@ jobs:
 
   publish:
     runs-on: ubuntu-latest
-    needs: [build-sdist, build-wheels-py37, build-wheels]
+    needs: [build, build-wheels-py37, build-wheels]
     if: |
       github.repository == 'metaopt/torchopt' && github.event_name != 'pull_request' &&
       (github.event_name != 'workflow_dispatch' || github.event.inputs.task == 'build-and-publish') &&
@@ -226,7 +241,7 @@ jobs:
         with:
           # unpacks default artifact into dist/
           # if `name: artifact` is omitted, the action will create extra parent dir
-          name: sdist
+          name: build
           path: dist
 
       - name: Download built wheels
@@ -250,7 +265,7 @@ jobs:
 
       - name: Publish to TestPyPI
         if: startsWith(github.ref, 'refs/tags/') || github.event_name == 'workflow_dispatch'
-        uses: pypa/gh-action-pypi-publish@v1.5.0
+        uses: pypa/gh-action-pypi-publish@release/v1
         with:
           user: __token__
           password: ${{ secrets.TESTPYPI_UPLOAD_TOKEN }}
@@ -261,7 +276,7 @@ jobs:
 
       - name: Publish to PyPI
         if: startsWith(github.ref, 'refs/tags/') || github.event_name == 'workflow_dispatch'
-        uses: pypa/gh-action-pypi-publish@v1.5.0
+        uses: pypa/gh-action-pypi-publish@release/v1
         with:
           user: __token__
           password: ${{ secrets.PYPI_UPLOAD_TOKEN }}

.github/workflows/tests.yml

@@ -28,6 +28,7 @@ concurrency:
 
 jobs:
   test:
+    name: Test with CXX/CUDA extensions on ubuntu-latest
     runs-on: ubuntu-latest
     timeout-minutes: 60
     steps:
@@ -88,3 +89,42 @@ jobs:
           flags: unittests
           name: codecov-umbrella
           fail_ci_if_error: false
+
+  test-pure-python:
+    name: Test for pure-Python on ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    timeout-minutes: 60
+    strategy:
+      matrix:
+        os: [ubuntu-latest, macos-latest] # jaxlib is not available on Windows
+      fail-fast: false
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+        with:
+          submodules: "recursive"
+          fetch-depth: 1
+
+      - name: Set up Python 3.7
+        uses: actions/setup-python@v4
+        with:
+          python-version: "3.7" # the lowest version we support (sync with requires-python in pyproject.toml)
+          update-environment: true
+
+      - name: Upgrade pip
+        run: |
+          python -m pip install --upgrade pip setuptools wheel
+
+      - name: Install dependencies
+        run: |
+          python -m pip install -r tests/requirements.txt
+
+      - name: Install TorchOpt
+        run: |
+          python -m pip install -vvv -e .
+        env:
+          TORCHOPT_NO_EXTENSIONS: "true"
+
+      - name: Test with pytest
+        run: |
+          make pytest

.gitignore

@@ -1,3 +1,6 @@
+##### Project Specific #####
+third-party/
+
 ##### Python.gitignore #####
 # Byte-compiled / optimized / DLL files
 __pycache__/
@@ -73,7 +76,6 @@ instance/
 
 # Sphinx documentation
 docs/_build/
-docs/build/
 docs/source/_build/
 
 # PyBuilder

.pre-commit-config.yaml

@@ -2,7 +2,7 @@
 # See https://pre-commit.com/hooks.html for more hooks
 repos:
   - repo: https://github.com/pre-commit/pre-commit-hooks
-    rev: v4.3.0
+    rev: v4.4.0
     hooks:
       - id: check-symlinks
       - id: destroyed-symlinks

CHANGELOG.md

@@ -13,6 +13,7 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 
 ### Added
 
+- Add Python implementation of accelerated OP and pure-Python wheels by [@XuehaiPan](https://github.com/XuehaiPan) in [#67](https://github.com/metaopt/torchopt/pull/67).
 - Add `nan_to_num` hook and gradient transformation by [@XuehaiPan](https://github.com/XuehaiPan) in [#119](https://github.com/metaopt/torchopt/pull/119).
 - Add matrix inversion linear solver with neumann series approximation by [@Benjamin-eecs](https://github.com/Benjamin-eecs) and [@XuehaiPan](https://github.com/XuehaiPan) in [#98](https://github.com/metaopt/torchopt/pull/98).
 - Add if condition of number of threads for CPU OPs by [@JieRen98](https://github.com/JieRen98) in [#105](https://github.com/metaopt/torchopt/pull/105).

CMakeLists.txt

@@ -13,9 +13,12 @@
 # limitations under the License.
 # ==============================================================================
 
-cmake_minimum_required(VERSION 3.8)
+cmake_minimum_required(VERSION 3.11)  # for FetchContent
 project(torchopt LANGUAGES CXX)
 
+include(FetchContent)
+set(PYBIND11_VERSION v2.10.1)
+
 if(NOT CMAKE_BUILD_TYPE)
     set(CMAKE_BUILD_TYPE Release)
 endif()
@@ -26,6 +29,7 @@ set(CMAKE_CXX_STANDARD_REQUIRED ON)
 find_package(Threads REQUIRED)           # -pthread
 find_package(OpenMP REQUIRED)            # -Xpreprocessor -fopenmp
 set(CMAKE_POSITION_INDEPENDENT_CODE ON)  # -fPIC
+set(CMAKE_CXX_VISIBILITY_PRESET hidden)  # -fvisibility=hidden
 
 if(MSVC)
     string(APPEND CMAKE_CXX_FLAGS " /Wall")
@@ -186,7 +190,7 @@ if("${PYTHON_INCLUDE_DIR}" STREQUAL "")
     message(FATAL_ERROR "Python include directory not found")
 else()
     message(STATUS "Detected Python include directory: \"${PYTHON_INCLUDE_DIR}\"")
-    include_directories(${PYTHON_INCLUDE_DIR})
+    include_directories("${PYTHON_INCLUDE_DIR}")
 endif()
 
 system(
@@ -195,6 +199,7 @@ system(
 )
 message(STATUS "Detected Python site packages: \"${PYTHON_SITE_PACKAGES}\"")
 
+# Include pybind11
 set(PYBIND11_PYTHON_VERSION "${PYTHON_VERSION}")
 
 if(NOT DEFINED PYBIND11_CMAKE_DIR)
@@ -206,14 +211,27 @@ if(NOT DEFINED PYBIND11_CMAKE_DIR)
 endif()
 
 if("${PYBIND11_CMAKE_DIR}" STREQUAL "")
-    message(FATAL_ERROR "Pybind11 CMake directory not found")
+    FetchContent_Declare(
+        pybind11
+        GIT_REPOSITORY https://github.com/pybind/pybind11.git
+        GIT_TAG "${PYBIND11_VERSION}"
+        GIT_SHALLOW TRUE
+        SOURCE_DIR "${CMAKE_SOURCE_DIR}/third-party/pybind11"
+        BINARY_DIR "${CMAKE_SOURCE_DIR}/third-party/.cmake/pybind11/build"
+        STAMP_DIR "${CMAKE_SOURCE_DIR}/third-party/.cmake/pybind11/stamp"
+    )
+    FetchContent_GetProperties(pybind11)
+    if(NOT pybind11_POPULATED)
+        message(STATUS "Populating Git repository pybind11@${PYBIND11_VERSION} to third-party/pybind11...")
+        FetchContent_MakeAvailable(pybind11)
+    endif()
 else()
     message(STATUS "Detected Pybind11 CMake directory: \"${PYBIND11_CMAKE_DIR}\"")
     find_package(pybind11 CONFIG PATHS "${PYBIND11_CMAKE_DIR}")
 endif()
 
 if(NOT DEFINED TORCH_INCLUDE_PATH)
-    message(STATUS "Auto detecting PyTorch include directory...")
+    message(STATUS "Auto detecting Torch include directory...")
     system(
         STRIP OUTPUT_VARIABLE TORCH_INCLUDE_PATH
         COMMAND "${PYTHON_EXECUTABLE}" -c "print('\\\;'.join(__import__('torch.utils.cpp_extension', fromlist=[None]).include_paths()))"
@@ -232,7 +250,7 @@ else()
 endif()
 
 if(NOT DEFINED TORCH_LIBRARY_PATH)
-    message(STATUS "Auto detecting PyTorch library directory...")
+    message(STATUS "Auto detecting Torch library directory...")
     system(
         STRIP OUTPUT_VARIABLE TORCH_LIBRARY_PATH
         COMMAND "${PYTHON_EXECUTABLE}" -c "print('\\\;'.join(__import__('torch.utils.cpp_extension', fromlist=[None]).library_paths()))"
@@ -251,19 +269,23 @@ endif()
 
 unset(TORCH_LIBRARIES)
 
+foreach(VAR_PATH ${TORCH_LIBRARY_PATH})
+    file(GLOB TORCH_LIBRARY "${VAR_PATH}/*")
+    message(STATUS "Detected Torch libraries: \"${TORCH_LIBRARY}\"")
+endforeach()
+
 foreach(VAR_PATH ${TORCH_LIBRARY_PATH})
     if(WIN32)
         file(GLOB TORCH_LIBRARY "${VAR_PATH}/*.lib")
     else()
         file(GLOB TORCH_LIBRARY "${VAR_PATH}/libtorch_python.*")
     endif()
-
     list(APPEND TORCH_LIBRARIES "${TORCH_LIBRARY}")
 endforeach()
 
-message(STATUS "Detected Torch libraries: \"${TORCH_LIBRARIES}\"")
+message(STATUS "Detected Torch Python libraries: \"${TORCH_LIBRARIES}\"")
 
 add_definitions(-D_GLIBCXX_USE_CXX11_ABI=0)
 
-include_directories(${CMAKE_SOURCE_DIR})
+include_directories("${CMAKE_SOURCE_DIR}")
 add_subdirectory(src)

conda-recipe-minimal.yaml

@@ -41,16 +41,16 @@ dependencies:
   - nvidia/label/cuda-11.7.1::cuda-toolkit = 11.7
 
   # Build toolchain
-  - cmake >= 3.4
+  - cmake >= 3.11
   - make
   - cxx-compiler
   - gxx = 10
   - nvidia/label/cuda-11.7.1::cuda-nvcc
   - nvidia/label/cuda-11.7.1::cuda-cudart-dev
-  - pybind11
+  - pybind11 >= 2.10.1
 
   # Misc
-  - optree >= 0.4.0
+  - optree >= 0.4.1
   - typing-extensions >= 4.0.0
   - numpy
   - python-graphviz

conda-recipe.yaml

@@ -47,17 +47,17 @@ dependencies:
   - nvidia/label/cuda-11.7.1::cuda-toolkit = 11.7
 
   # Build toolchain
-  - cmake >= 3.4
+  - cmake >= 3.11
   - make
   - cxx-compiler
   - gxx = 10
   - nvidia/label/cuda-11.7.1::cuda-nvcc
   - nvidia/label/cuda-11.7.1::cuda-cudart-dev
   - patchelf >= 0.14
-  - pybind11
+  - pybind11 >= 2.10.1
 
   # Misc
-  - optree >= 0.4.0
+  - optree >= 0.4.1
   - typing-extensions >= 4.0.0
   - numpy
   - matplotlib-base

docs/conda-recipe.yaml

@@ -39,16 +39,16 @@ dependencies:
       - sphinxcontrib-katex  # for documentation
 
   # Build toolchain
-  - cmake >= 3.4
+  - cmake >= 3.11
   - make
   - cxx-compiler
   - gxx = 10
   - nvidia/label/cuda-11.7.1::cuda-nvcc
   - nvidia/label/cuda-11.7.1::cuda-cudart-dev
-  - pybind11
+  - pybind11 >= 2.10.1
 
   # Misc
-  - optree >= 0.4.0
+  - optree >= 0.4.1
   - typing-extensions >= 4.0.0
   - numpy
   - matplotlib-base