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setup.py
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setup.py
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#!/usr/bin/env python3
from setuptools import setup, find_packages
from setuptools.extension import Extension
from Cython.Build import cythonize
import numpy
with open('requirements.txt') as f:
requirements = f.read().splitlines()
setup(
name='dfttools',
version='0.1.0',
author='Artem Pulkin',
author_email='gpulkin@gmail.com',
packages=find_packages(),
data_files=["requirements.txt", "test-requirements.txt"],
url='https://github.com/pulkin/dfttools',
license='LICENSE.txt',
description='Tools for parsing textual data from modern DFT (quantum chemistry) packages',
long_description=open('README.md').read(),
long_description_content_type="text/markdown",
ext_modules=cythonize([
Extension("dfttools.parsers.native_qe", ["cython/native_qe.pyx"], include_dirs=[numpy.get_include()]),
Extension("dfttools.parsers.native_openmx", ["cython/native_openmx.pyx"], include_dirs=[numpy.get_include()]),
"cython/fastparse.pyx",
]),
setup_requires=[
'numpy', 'pytest-runner',
],
install_requires=requirements,
scripts=[
'scripts/dft-plot-bands',
'scripts/dft-svg-structure',
'scripts/dft-materialsproject',
'scripts/dft-xcrysden',
],
)