setup.py

import sys
import os
from os.path import join
from distutils.sysconfig import get_python_lib

from setuptools import find_packages
from skbuild import setup
from skbuild.constants import CMAKE_INSTALL_DIR
import re

# read the version number from the library
pattern = r"[0-9]\.[0-9]\.[0-9]"
version = None
with open("./bindings/rascal/__init__.py", "r") as fp:
    for line in fp.readlines():
        if "__version__" in line:
            version = re.findall(pattern, line)[0]
if version is None:
    raise ValueError("Version number not found.")

with open("./requirements_pip.txt", "r") as fp:
    requirements = list(filter(lambda x: "#" not in x, (line.strip() for line in fp)))

setup(
    name="rascal",
    version=version,
    description="""A versatile and scalable computation of representations of \
    atomic structures for machine learning.""",
    author="librascal developers",
    license="LGPL-2.1-or-later",
    cmake_args=[
        "-DINSTALL_PATH:STRING=" + join(os.getcwd(), CMAKE_INSTALL_DIR()),
        "-DBUILD_EXAMPLES:BOOL=OFF",
    ],
    package_dir={"": "bindings"},
    packages=find_packages(where="bindings"),
    install_requires=requirements,
    # include_package_data=True,
    # package_data={"": ["lib/librascal.*"]},
    zip_safe=False,
)