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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
extensions = [Extension('cconf_gen', ['autode/conformers/cconf_gen.pyx']),
Extension('ade_dihedrals',
sources=['autode/ext/ade_dihedrals.pyx'],
include_dirs=['autode/ext/include'],
language='c++',
extra_compile_args=["-std=c++11",
"-Wno-missing-braces", "-O3"],
extra_link_args=["-std=c++11"]),
Extension('ade_rb_opt',
sources=['autode/ext/ade_rb_opt.pyx'],
include_dirs=['autode/ext/include'],
language='c++',
extra_compile_args=["-std=c++11",
"-Wno-missing-braces", "-O3"],
extra_link_args=["-std=c++11"])]
setup(name='autode',
version='1.3.2',
python_requires='>3.7',
packages=['autode',
'autode.conformers',
'autode.calculations',
'autode.pes',
'autode.path',
'autode.neb',
'autode.opt',
'autode.opt.coordinates',
'autode.opt.optimisers',
'autode.reactions',
'autode.smiles',
'autode.species',
'autode.wrappers',
'autode.wrappers.keywords',
'autode.thermochemistry',
'autode.transition_states',
'autode.log',
'autode.solvent'],
include_package_data=True,
package_data={'autode.transition_states': ['lib/*.txt'],
'autode.solvent': ['lib/*.xyz']},
ext_modules=cythonize(extensions, language_level="3"),
url='https://github.com/duartegroup/autodE',
license='MIT',
author='autodE contributors',
description='Automated reaction profile generation')