<commit_before>"""
YANK is a testbed for experimenting with algorithms for the efficient computation of small molecule binding free energies to biomolecular targets using alchemical methods.
YANK is built on OpenMM, the API for molecular simulation, and uses its GPU-accelerated library implementation for hardware acceleration.
"""
from __future__ import print_function
import os
import sys
import distutils.extension
from setuptools import setup, Extension, find_packages
import numpy
import glob
import os
from os.path import relpath, join
import subprocess
from Cython.Build import cythonize
DOCLINES = __doc__.split("\n")

########################
VERSION = "0.9.0"
ISRELEASED = True
__version__ = VERSION
########################
CLASSIFIERS = """\
Development Status :: 3 - Alpha
Intended Audience :: Science/Research
Intended Audience :: Developers
License :: OSI Approved :: Lesser GNU Public License (LGPL)
Programming Language :: Python
Programming Language :: Python :: 3
Topic :: Scientific/Engineering :: Bio-Informatics
Topic :: Scientific/Engineering :: Chemistry
Operating System :: Microsoft :: Windows
Operating System :: POSIX
Operating System :: Unix
Operating System :: MacOS<commit_msg>Set setup.py version to 0.9.1dev<commit_after>"""
YANK is a testbed for experimenting with algorithms for the efficient computation of small molecule binding free energies to biomolecular targets using alchemical methods.
YANK is built on OpenMM, the API for molecular simulation, and uses its GPU-accelerated library implementation for hardware acceleration.
"""
from __future__ import print_function
import os
import sys
import distutils.extension
from setuptools import setup, Extension, find_packages
import numpy
import glob
import os
from os.path import relpath, join
import subprocess
from Cython.Build import cythonize
DOCLINES = __doc__.split("\n")

########################
VERSION = "0.9.1dev"
ISRELEASED = False
__version__ = VERSION
########################
CLASSIFIERS = """\
Development Status :: 3 - Alpha
Intended Audience :: Science/Research
Intended Audience :: Developers
License :: OSI Approved :: Lesser GNU Public License (LGPL)
Programming Language :: Python
Programming Language :: Python :: 3
Topic :: Scientific/Engineering :: Bio-Informatics
Topic :: Scientific/Engineering :: Chemistry
Operating System :: Microsoft :: Windows
Operating System :: POSIX
Operating System :: Unix
Operating System :: MacOS
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