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setup.py
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#!/usr/bin/env python
# -*- coding: utf-8 -*-
from setuptools import setup
with open('README.rst') as readme_file:
readme = readme_file.read()
with open('HISTORY.rst') as history_file:
history = history_file.read()
requirements = [
"Cython==0.29.2",
"tabulate==0.8.3",
"lxml==4.2.5",
"mpmath==1.1.0",
"numpy==1.16.4",
"matplotlib==3.0.2",
"sympy==1.4",
"cryptography==2.7",
"seaborn==0.9.0",
"pyOpenSSL==19.0.0",
"brotli==1.0.7",
"protobuf==3.9.0",
"ipaddr==2.2.0",
"mock==3.0.5",
"ordereddict==1.1",
"simplejson==3.16.0",
"usercustomize==1.0.0",
"wincertstore==0.2",
"PyYAML==5.4"
]
test_requirements = requirements
setup(
name='vasp_tools',
version='0.1.0',
description="A suite of scripts that perform menial, tedious and repetitive tasks and operations on VASP files that were hurriedly and haphazardly put together by some intern.",
long_description=readme + '\n\n' + history,
author="Zaid Hassan aka RexGalilae",
author_email='mdzaidgr8@gmail.com',
url='https://github.com/RexGalilae/vasp-tools',
packages=[
'vasp_tools',
],
scripts = [
'scripts/cart-direct.py',
'scripts/e-gap.py',
'scripts/e-plot.py',
'scripts/fix-upto.py',
'scripts/place-at.py',
'scripts/rotate.py',
'scripts/split-by.py',
'scripts/forces.py'
],
package_dir={'vasp_tools':
'vasp_tools'},
entry_points={
'console_scripts': [
'vasp_tools=vasp_tools.cli:main'
]
},
include_package_data=True,
install_requires=requirements,
license="MIT license",
zip_safe=False,
keywords='vasp python computation dft',
classifiers=[
'Development Status :: 2 - Pre-Alpha',
'Intended Audience :: Developers',
'License :: OSI Approved :: MIT License',
'Natural Language :: English',
'Programming Language :: Python :: 3.5',
'Programming Language :: Python :: 3.6',
'Programming Language :: Python :: 3.7',
],
test_suite='tests',
tests_require=test_requirements
)