Extending a CMake-based C++ project to Python using Pybind11

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I have a (large) C++ project built with CMake, and I am trying to use pybind11 on it. The targets include:

  1. to build and run an executable (like a normal C++ project);
  2. to call some C++ methods through python.

Therefore, I tried cmake_example (https://github.com/pybind/cmake_example), which is a simple demo provided by pybind11. I can successfully call the C++ method through python (target 2) but have trouble in building an executable (target 1). To ensure that everything is clear, I've included the reproduction code below.

Project structure: It is just the structure of cmake_example.

├── CMakeLists.txt
├── pybind11
├── setup.py
└── src
    └── main.cpp

src/main.cpp: It is basically the same as in cmake_example except a trivial main function is added.

#include <pybind11/pybind11.h>
#include <iostream>

#define STRINGIFY(x) #x
#define MACRO_STRINGIFY(x) STRINGIFY(x)

int add(int i, int j) {
    return i + j;
}

int main(int argc, char **argv) {
  std::cout << "Hello World!!!\n";
  return 0;
}

namespace py = pybind11;

PYBIND11_MODULE(cmake_example, m) {
    m.doc() = R"pbdoc(
        Pybind11 example plugin
        -----------------------

        .. currentmodule:: cmake_example

        .. autosummary::
           :toctree: _generate

           add
           subtract
    )pbdoc";

    m.def("add", &add, R"pbdoc(
        Add two numbers

        Some other explanation about the add function.
    )pbdoc");

    m.def("subtract", [](int i, int j) { return i - j; }, R"pbdoc(
        Subtract two numbers

        Some other explanation about the subtract function.
    )pbdoc");

#ifdef VERSION_INFO
    m.attr("__version__") = MACRO_STRINGIFY(VERSION_INFO);
#else
    m.attr("__version__") = "dev";
#endif
}

CMakeLists.txt: It is basically the same as in cmake_example except add_executable is added to build executable.

cmake_minimum_required(VERSION 3.4...3.18)
project(cmake_example)

set(CMAKE_CXX_STANDARD 17)

add_subdirectory(pybind11)
pybind11_add_module(cmake_example src/main.cpp)

# EXAMPLE_VERSION_INFO is defined by setup.py and passed into the C++ code as a
# define (VERSION_INFO) here.
target_compile_definitions(cmake_example
                           PRIVATE VERSION_INFO=${EXAMPLE_VERSION_INFO})

add_executable(exec_example src/main.cpp)

setup.py: It is the same as in cmake_example, but I've still included the code here.

import os
import re
import subprocess
import sys
from pathlib import Path

from setuptools import Extension, setup
from setuptools.command.build_ext import build_ext

# Convert distutils Windows platform specifiers to CMake -A arguments
PLAT_TO_CMAKE = {
    "win32": "Win32",
    "win-amd64": "x64",
    "win-arm32": "ARM",
    "win-arm64": "ARM64",
}


# A CMakeExtension needs a sourcedir instead of a file list.
# The name must be the _single_ output extension from the CMake build.
# If you need multiple extensions, see scikit-build.
class CMakeExtension(Extension):
    def __init__(self, name: str, sourcedir: str = "") -> None:
        super().__init__(name, sources=[])
        self.sourcedir = os.fspath(Path(sourcedir).resolve())


class CMakeBuild(build_ext):
    def build_extension(self, ext: CMakeExtension) -> None:
        # Must be in this form due to bug in .resolve() only fixed in Python 3.10+
        ext_fullpath = Path.cwd() / self.get_ext_fullpath(ext.name)
        extdir = ext_fullpath.parent.resolve()

        # Using this requires trailing slash for auto-detection & inclusion of
        # auxiliary "native" libs

        debug = int(os.environ.get("DEBUG", 0)) if self.debug is None else self.debug
        cfg = "Debug" if debug else "Release"

        # CMake lets you override the generator - we need to check this.
        # Can be set with Conda-Build, for example.
        cmake_generator = os.environ.get("CMAKE_GENERATOR", "")

        # Set Python_EXECUTABLE instead if you use PYBIND11_FINDPYTHON
        # EXAMPLE_VERSION_INFO shows you how to pass a value into the C++ code
        # from Python.
        cmake_args = [
            f"-DCMAKE_LIBRARY_OUTPUT_DIRECTORY={extdir}{os.sep}",
            f"-DPYTHON_EXECUTABLE={sys.executable}",
            f"-DCMAKE_BUILD_TYPE={cfg}",  # not used on MSVC, but no harm
        ]
        build_args = []
        # Adding CMake arguments set as environment variable
        # (needed e.g. to build for ARM OSx on conda-forge)
        if "CMAKE_ARGS" in os.environ:
            cmake_args += [item for item in os.environ["CMAKE_ARGS"].split(" ") if item]

        # In this example, we pass in the version to C++. You might not need to.
        cmake_args += [f"-DEXAMPLE_VERSION_INFO={self.distribution.get_version()}"]

        if self.compiler.compiler_type != "msvc":
            # Using Ninja-build since it a) is available as a wheel and b)
            # multithreads automatically. MSVC would require all variables be
            # exported for Ninja to pick it up, which is a little tricky to do.
            # Users can override the generator with CMAKE_GENERATOR in CMake
            # 3.15+.
            if not cmake_generator or cmake_generator == "Ninja":
                try:
                    import ninja

                    ninja_executable_path = Path(ninja.BIN_DIR) / "ninja"
                    cmake_args += [
                        "-GNinja",
                        f"-DCMAKE_MAKE_PROGRAM:FILEPATH={ninja_executable_path}",
                    ]
                except ImportError:
                    pass

        else:
            # Single config generators are handled "normally"
            single_config = any(x in cmake_generator for x in {"NMake", "Ninja"})

            # CMake allows an arch-in-generator style for backward compatibility
            contains_arch = any(x in cmake_generator for x in {"ARM", "Win64"})

            # Specify the arch if using MSVC generator, but only if it doesn't
            # contain a backward-compatibility arch spec already in the
            # generator name.
            if not single_config and not contains_arch:
                cmake_args += ["-A", PLAT_TO_CMAKE[self.plat_name]]

            # Multi-config generators have a different way to specify configs
            if not single_config:
                cmake_args += [
                    f"-DCMAKE_LIBRARY_OUTPUT_DIRECTORY_{cfg.upper()}={extdir}"
                ]
                build_args += ["--config", cfg]

        if sys.platform.startswith("darwin"):
            # Cross-compile support for macOS - respect ARCHFLAGS if set
            archs = re.findall(r"-arch (\S+)", os.environ.get("ARCHFLAGS", ""))
            if archs:
                cmake_args += ["-DCMAKE_OSX_ARCHITECTURES={}".format(";".join(archs))]

        # Set CMAKE_BUILD_PARALLEL_LEVEL to control the parallel build level
        # across all generators.
        if "CMAKE_BUILD_PARALLEL_LEVEL" not in os.environ:
            # self.parallel is a Python 3 only way to set parallel jobs by hand
            # using -j in the build_ext call, not supported by pip or PyPA-build.
            if hasattr(self, "parallel") and self.parallel:
                # CMake 3.12+ only.
                build_args += [f"-j{self.parallel}"]

        build_temp = Path(self.build_temp) / ext.name
        if not build_temp.exists():
            build_temp.mkdir(parents=True)

        subprocess.run(
            ["cmake", ext.sourcedir, *cmake_args], cwd=build_temp, check=True
        )
        subprocess.run(
            ["cmake", "--build", ".", *build_args], cwd=build_temp, check=True
        )


# The information here can also be placed in setup.cfg - better separation of
# logic and declaration, and simpler if you include description/version in a file.
setup(
    name="cmake_example",
    version="0.0.1",
    author="Dean Moldovan",
    author_email="[email protected]",
    description="A test project using pybind11 and CMake",
    long_description="",
    ext_modules=[CMakeExtension("cmake_example")],
    cmdclass={"build_ext": CMakeBuild},
    zip_safe=False,
    extras_require={"test": ["pytest>=6.0"]},
    python_requires=">=3.7",
)

I followed their instructions of installation (i.e., pip install ./cmake_example), then I can call add method through python (e.g., import cmake_example cmake_example.add(1, 2)). Now the problem is that I also need the project to be built and run regularly. So I built the project via

mkdir build
cd build
cmake ..
make

but I got

/home/jjt/work/BN/cmake_example/src/main.cpp:2:10: fatal error: pybind11/pybind11.h: No such file or directory
    2 | #include <pybind11/pybind11.h>
      |          ^~~~~~~~~~~~~~~~~~~~~
compilation terminated.
make[2]: *** [CMakeFiles/exec_example.dir/build.make:76: CMakeFiles/exec_example.dir/src/main.cpp.o] Error 1
make[1]: *** [CMakeFiles/Makefile2:128: CMakeFiles/exec_example.dir/all] Error 2
make: *** [Makefile:91: all] Error 2

pybind11 is a submodule in cmake_example, and the path of pybind11.h is pybind11/include/pybind11/pybind11.h.

Tried make VERBOSE=1 and got:

/usr/bin/c++   -std=gnu++17 -MD -MT CMakeFiles/exec_example.dir/src/main.cpp.o -MF CMakeFiles/exec_example.dir/src/main.cpp.o.d -o CMakeFiles/exec_example.dir/src/main.cpp.o -c /home/jjt/work/BN/cmake_example/src/main.cpp
/home/jjt/work/BN/cmake_example/src/main.cpp:2:10: fatal error: pybind11/pybind11.h: No such file or directory
    2 | #include <pybind11/pybind11.h>
      |          ^~~~~~~~~~~~~~~~~~~~~
compilation terminated.
make[2]: *** [CMakeFiles/exec_example.dir/build.make:76: CMakeFiles/exec_example.dir/src/main.cpp.o] Error 1
make[2]: Leaving directory '/home/jjt/work/BN/cmake_example/build'
make[1]: *** [CMakeFiles/Makefile2:128: CMakeFiles/exec_example.dir/all] Error 2
make[1]: Leaving directory '/home/jjt/work/BN/cmake_example/build'
make: *** [Makefile:91: all] Error 2
0

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