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setup.py
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setup.py
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from setuptools import setup
from Cython.Build import cythonize
from setuptools.extension import Extension
import sys
import os
here = os.path.abspath(os.path.dirname(__file__))
extensions = []
# By default, don't build the ESP C++ extension on Windows
if '--esp_gen' in sys.argv or sys.platform != 'win32':
# Generate with cython always (to keep up with cython versions)
extensions.append(Extension(
'esp_gen',
['cgbind/ext/esp_gen.pyx'],
include_dirs=["cgbind/ext"])
)
if '--esp_gen' in sys.argv:
sys.argv.remove('--esp_gen')
setup(name='cgbind',
version='1.0.4',
description='Metallocage construction and binding affinity calculations',
packages=['cgbind', 'cgbind.ext'],
package_data={
'': ['lib/*'],
"cgbind.ext": ["esp_gen.pyx"]
},
ext_modules=cythonize(extensions, language_level="3", annotate=True),
url='https://github.com/duartegroup/cgbind',
license='MIT',
author='cgbind developers',
install_requires=['Cython'],
setup_requires=['Cython'],
python_requires=">3.7")