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setup.py
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#!/usr/bin/env python
import sys, os
from setuptools import setup, Extension
from setuptools.command.install import install
# Make sure I have the right Python version.
if sys.version_info[:2] < (2, 5):
print "pyMDMix requires Python 2.5 or later. Python %d.%d detected" % \
sys.version_info[:2]
print "Please upgrade your version of Python."
sys.exit(1)
# Make sure AMBERHOME environ variable is set
if not os.environ.get('AMBERHOME'):
print "AMBERHOME env variable not set! Please set this variable pointing to AMBER package installation directory."
sys.exit(1)
script_list = ['src/mdmix']
def getRequirements():
requirements=[]
with open('requirements.txt', 'r') as reqfile:
for line in reqfile.readlines():
requirements.append(line.strip())
return requirements
def getVersionFromInit():
return '0.2.8'
setup(
name='pyMDMix',
zip_safe=False,
version= getVersionFromInit(),
description='Molecular Dynamics with organic solvent mixtures setup and analysis',
author='Daniel Alvarez-Garcia',
author_email='algarcia.daniel@gmail.com',
url='',
packages=['pyMDMix','pyMDMix.Actions', 'pyMDMix.Commands'],
include_package_data=True,
package_data={'pyMDMix.data':['pyMDMix/data/*']},
scripts=script_list,
dependency_links=['https://sourcesup.renater.fr/frs/?group_id=180&release_id=2467#stable-releases-_2.8.1-title-content'],
install_requires=getRequirements()
)