setup.py

from setuptools import setup
from pybind11.setup_helpers import Pybind11Extension, build_ext
import os

include_dirs = [
    'include',
    'libs',
    'pybind11/include' if os.path.exists('pybind11/include') else ''
]

include_dirs = [d for d in include_dirs if d]

sfc_module = Pybind11Extension(
    'drylab',
    sources=[
        'drylab.cpp',
        'src/atom.cpp',
        'src/system.cpp',
        'src/ElemsDB.cpp'
    ],
    include_dirs=include_dirs, # CRITICAL: Tells the compiler where the .h files are
    cxx_std=17,                # Ensures C++17 is used on all platforms
)

setup(
    name='drylab',
    version='1.0.0',           # Add a version number for the Wheel
    ext_modules=[sfc_module],
    cmdclass={'build_ext': build_ext},
)