def main(**kwargs):
write_version_py(VERSION, ISRELEASED, 'mdentropy/version.py')
setup(name=NAME,
version=VERSION,
platforms=(
"Windows",
"Linux",
"Mac OS-X",
"Unix",
),
classifiers=(
'Intended Audience :: Science/Research',
'License :: OSI Approved :: MIT License',
'Programming Language :: Python',
'Programming Language :: Python :: 3',
'Programming Language :: Python :: 3.4',
'Programming Language :: Python :: 3.5',
'Operating System :: Unix',
'Operating System :: MacOS',
'Operating System :: Microsoft :: Windows',
'Topic :: Information Analysis',
),
keywords="molecular dynamics entropy analysis",
author="Carlos Xavier Hernández",
author_email="*****@*****.**",
url='https://github.com/msmbuilder/%s' % NAME,
download_url='https://github.com/msmbuilder/%s/tarball/master' %
NAME,
license='MIT',
packages=find_packages(),
include_package_data=True,
package_data={
'': ['README.md', 'requirements.txt'],
},
zip_safe=False,
entry_points={
'console_scripts': [
'mdent = mdentropy.cli.main:main',
],
},
**kwargs)
def main(**kwargs):
write_version_py(VERSION, ISRELEASED, 'msmexplorer/version.py')
setup(name=NAME,
version=VERSION,
description=('Visualizations for statistical models'
'of biomolecular dynamics.'),
platforms=(
"Windows",
"Linux",
"Mac OS-X",
"Unix",
),
classifiers=(
'Intended Audience :: Science/Research',
'License :: OSI Approved :: MIT License',
'Programming Language :: Python',
'Programming Language :: Python :: 3',
'Programming Language :: Python :: 3.4',
'Programming Language :: Python :: 3.5',
'Operating System :: Unix',
'Operating System :: MacOS',
'Operating System :: Microsoft :: Windows',
'Topic :: Scientific/Engineering',
),
keywords=('visualizations', 'biomolecular', 'simulations',
'markov state models'),
author="Carlos Xavier Hernández",
author_email="*****@*****.**",
url='https://github.com/cxhernandez/%s' % NAME,
download_url='https://github.com/cxhernandez/%s/tarball/master' %
NAME,
license='LGPLv2+',
packages=find_packages(),
include_package_data=True,
package_data={
NAME: ['README.md', 'requirements.txt'],
},
zip_safe=False,
ext_modules=extensions,
cmdclass={'build_ext': build_ext},
**kwargs)
def main(**kwargs):
write_version_py(VERSION, ISRELEASED, 'mdentropy/version.py')
setup(
name=NAME,
version=VERSION,
platforms=("Windows", "Linux", "Mac OS-X", "Unix",),
classifiers=(
'Intended Audience :: Science/Research',
'License :: OSI Approved :: MIT License',
'Programming Language :: Python',
'Programming Language :: Python :: 3',
'Programming Language :: Python :: 3.4',
'Programming Language :: Python :: 3.5',
'Operating System :: Unix',
'Operating System :: MacOS',
'Operating System :: Microsoft :: Windows',
'Topic :: Information Analysis',
),
keywords="molecular dynamics entropy analysis",
author="Carlos Xavier Hernández",
author_email="*****@*****.**",
url='https://github.com/msmbuilder/%s' % NAME,
download_url='https://github.com/msmbuilder/%s/tarball/master' % NAME,
license='MIT',
packages=find_packages(),
include_package_data=True,
package_data={
'': ['README.md',
'requirements.txt'],
},
zip_safe=False,
entry_points={
'console_scripts': [
'mdent = mdentropy.cli.main:main',
],
},
**kwargs
)
def main(**kwargs):
write_version_py(VERSION, ISRELEASED, 'msmexplorer/version.py')
setup(
name=NAME,
version=VERSION,
description=('Visualizations for statistical models'
'of biomolecular dynamics.'),
platforms=("Windows", "Linux", "Mac OS-X", "Unix",),
classifiers=(
'Intended Audience :: Science/Research',
'License :: OSI Approved :: MIT License',
'Programming Language :: Python',
'Programming Language :: Python :: 3',
'Programming Language :: Python :: 3.4',
'Programming Language :: Python :: 3.5',
'Operating System :: Unix',
'Operating System :: MacOS',
'Operating System :: Microsoft :: Windows',
'Topic :: Scientific/Engineering',
),
keywords=('visualizations', 'biomolecular', 'simulations',
'markov state models'),
author="Carlos Xavier Hernández",
author_email="*****@*****.**",
url='https://github.com/cxhernandez/%s' % NAME,
download_url='https://github.com/cxhernandez/%s/tarball/master' % NAME,
license='LGPLv2+',
packages=find_packages(),
include_package_data=True,
package_data={
NAME: ['README.md',
'requirements.txt'],
},
zip_safe=False,
**kwargs
)
def main(**kwargs):
write_version_py(VERSION, ISRELEASED, 'osprey/version.py')
classifiers = """\
Development Status :: 3 - Alpha
Intended Audience :: Science/Research
License :: OSI Approved :: Apache Software License
Programming Language :: Python
Programming Language :: Python :: 2.7
Programming Language :: Python :: 3
Programming Language :: Python :: 3.4
Programming Language :: Python :: 3.5
Operating System :: Unix
Operating System :: MacOS
Operating System :: Microsoft :: Windows
Topic :: Scientific/Engineering
Topic :: Scientific/Engineering :: Information Analysis"""
setup(
name='osprey',
author='Robert T. McGibbon',
author_email='*****@*****.**',
url='https://github.com/msmbuilder/osprey',
classifiers=[e.strip() for e in classifiers.splitlines()],
platforms=["Windows", "Linux", "Mac OS-X", "Unix"],
license='Apache Software License',
download_url='https://pypi.python.org/pypi/osprey/',
version=VERSION,
packages=find_packages(),
zip_safe=False,
package_data={'osprey': ['data/*']},
entry_points={
'console_scripts': [
'osprey = osprey.cli.main:main',
],
},
**kwargs
)
def main(**kwargs):
write_version_py(VERSION, ISRELEASED, 'osprey/version.py')
classifiers = """\
Development Status :: 3 - Alpha
Intended Audience :: Science/Research
License :: OSI Approved :: Apache Software License
Programming Language :: Python
Programming Language :: Python :: 2.7
Programming Language :: Python :: 3
Programming Language :: Python :: 3.4
Programming Language :: Python :: 3.5
Operating System :: Unix
Operating System :: MacOS
Operating System :: Microsoft :: Windows
Topic :: Scientific/Engineering
Topic :: Scientific/Engineering :: Information Analysis"""
setup(
name='osprey',
author='Robert T. McGibbon',
author_email='*****@*****.**',
url='https://github.com/msmbuilder/osprey',
classifiers=[e.strip() for e in classifiers.splitlines()],
platforms=["Windows", "Linux", "Mac OS-X", "Unix"],
license='Apache Software License',
download_url='https://pypi.python.org/pypi/osprey/',
version=VERSION,
packages=find_packages(),
zip_safe=False,
package_data={'osprey': ['data/*']},
entry_points={
'console_scripts': [
'osprey = osprey.cli.main:main',
],
},
**kwargs
)
Extension('mdtraj.geometry.neighborlist',
sources=[
"mdtraj/geometry/neighborlist.pyx",
"mdtraj/geometry/src/neighborlist.cpp"
],
include_dirs=[
"mdtraj/geometry/include",
],
define_macros=define_macros,
extra_compile_args=compiler_args,
libraries=compiler_libraries,
language='c++'),
]
write_version_py(VERSION, ISRELEASED, 'mdtraj/version.py')
metadata = \
dict(name='mdtraj',
author='Robert McGibbon',
author_email='*****@*****.**',
description=DOCLINES[0],
long_description="\n".join(DOCLINES[2:]),
version=__version__,
license='LGPLv2.1+',
url='http://mdtraj.org',
download_url = "https://github.com/rmcgibbo/mdtraj/releases/latest",
platforms=['Linux', 'Mac OS-X', 'Unix', 'Windows'],
classifiers=CLASSIFIERS.splitlines(),
packages=find_packages(),
cmdclass={'build_ext': build_ext},
"mdtraj/geometry/src/neighbors.cpp"
],
include_dirs=[
"mdtraj/geometry/include",
],
define_macros=define_macros,
extra_compile_args=compiler_args,
language='c++'),
]
extensions = [xtc, trr, dcd, binpos, dtr]
extensions.extend(rmsd_extensions())
extensions.extend(geometry_extensions())
write_version_py(VERSION, ISRELEASED)
setup(
name='mdtraj',
author='Robert McGibbon',
author_email='*****@*****.**',
description=DOCLINES[0],
long_description="\n".join(DOCLINES[2:]),
version=__version__,
license='LGPLv2.1+',
url='http://mdtraj.org',
download_url="https://github.com/rmcgibbo/mdtraj/releases/latest",
platforms=['Linux', 'Mac OS-X', 'Unix', 'Windows'],
classifiers=CLASSIFIERS.splitlines(),
packages=find_packages(),
cmdclass={'build_ext': build_ext},
ext_modules=cythonize(extensions),
pjoin(HMMDIR, 'vonmises.pyx'),
pjoin(HMMDIR, 'src/VonMisesHMMFitter.cpp'),
pjoin(HMMDIR, 'cephes/i0.c'),
pjoin(HMMDIR, 'cephes/chbevl.c')
],
libraries=compiler.compiler_libraries_openmp,
extra_compile_args=compiler.compiler_args_sse3 +
compiler.compiler_args_openmp,
include_dirs=[
np.get_include(), HMMDIR,
pjoin(HMMDIR, 'src/include/'),
pjoin(HMMDIR, 'src/'),
pjoin(HMMDIR, 'cephes/')
]))
write_version_py(VERSION, ISRELEASED, filename='msmbuilder/version.py')
setup(
name='msmbuilder',
author='Robert McGibbon',
author_email='*****@*****.**',
description=DOCLINES[0],
long_description="\n".join(DOCLINES[2:]),
version=__version__,
url='https://github.com/msmbuilder/msmbuilder',
platforms=['Linux', 'Mac OS-X', 'Unix'],
classifiers=CLASSIFIERS.splitlines(),
packages=['msmbuilder'] +
['msmbuilder.%s' % e for e in find_packages('msmbuilder')],
package_data={'msmbuilder.tests': ['workflows/*']},
entry_points={'console_scripts': ['msmb = msmbuilder.scripts.msmb:main']},
zip_safe=False,
define_macros=define_macros,
extra_compile_args=compiler_args,
libraries=compiler_libraries,
language='c++'),
Extension('mdtraj.geometry.neighborlist',
sources=["mdtraj/geometry/neighborlist.pyx",
"mdtraj/geometry/src/neighborlist.cpp"],
include_dirs=["mdtraj/geometry/include",],
define_macros=define_macros,
extra_compile_args=compiler_args,
libraries=compiler_libraries,
language='c++'),
]
write_version_py(VERSION, ISRELEASED, 'mdtraj/version.py')
metadata = \
dict(name='mdtraj',
author='Robert McGibbon',
author_email='*****@*****.**',
description=DOCLINES[0],
long_description="\n".join(DOCLINES[2:]),
version=__version__,
license='LGPLv2.1+',
url='http://mdtraj.org',
download_url = "https://github.com/rmcgibbo/mdtraj/releases/latest",
platforms=['Linux', 'Mac OS-X', 'Unix', 'Windows'],
classifiers=CLASSIFIERS.splitlines(),
packages=find_packages(),
cmdclass={'build_ext': build_ext},
define_macros=define_macros,
extra_compile_args=compiler_args),
Extension('mdtraj.geometry.neighbors',
sources=["mdtraj/geometry/neighbors.pyx",
"mdtraj/geometry/src/neighbors.cpp"],
include_dirs=["mdtraj/geometry/include",],
define_macros=define_macros,
extra_compile_args=compiler_args,
language='c++'),
]
extensions = [xtc, trr, dcd, binpos, dtr]
extensions.extend(rmsd_extensions())
extensions.extend(geometry_extensions())
write_version_py(VERSION, ISRELEASED)
setup(name='mdtraj',
author='Robert McGibbon',
author_email='*****@*****.**',
description=DOCLINES[0],
long_description="\n".join(DOCLINES[2:]),
version=__version__,
license='LGPLv2.1+',
url='http://mdtraj.org',
download_url = "https://github.com/rmcgibbo/mdtraj/releases/latest",
platforms=['Linux', 'Mac OS-X', 'Unix', 'Windows'],
classifiers=CLASSIFIERS.splitlines(),
packages=find_packages(),
cmdclass={'build_ext': build_ext},
ext_modules=cythonize(extensions),
package_data={'mdtraj.formats.pdb': ['data/*'],
pjoin(HMMDIR, 'src/include/'),
pjoin(HMMDIR, 'src/')]))
extensions.append(
Extension('msmbuilder.hmm._vmhmm',
sources=[pjoin(HMMDIR, 'vonmises/vmhmm.c'),
#pjoin(HMMDIR, 'vonmises/test.c'),
pjoin(HMMDIR, 'vonmises/vmhmmwrap.pyx'),
pjoin(HMMDIR, 'vonmises/spleval.c'),
pjoin(HMMDIR, 'cephes/i0.c'),
pjoin(HMMDIR, 'cephes/chbevl.c')],
include_dirs=[np.get_include(),
pjoin(HMMDIR, 'cephes'),
'msmbuilder/src/f2py']))
write_version_py(VERSION, ISRELEASED, filename='msmbuilder/version.py')
setup(name='msmbuilder',
author='Robert McGibbon',
author_email='*****@*****.**',
description=DOCLINES[0],
long_description="\n".join(DOCLINES[2:]),
version=__version__,
url='https://github.com/msmbuilder/msmbuilder',
platforms=['Linux', 'Mac OS-X', 'Unix'],
classifiers=CLASSIFIERS.splitlines(),
packages=['msmbuilder'] + ['msmbuilder.%s' % e for e in
find_packages('msmbuilder')],
package_data={'msmbuilder.tests': ['workflows/*']},
entry_points={'console_scripts':
['msmb = msmbuilder.scripts.msmb:main']},
zip_safe=False,
from setuptools import setup, find_packages
from basesetup import write_version_py
VERSION = "0.1alpha"
ISRELEASED = False
write_version_py(VERSION, ISRELEASED, 'gui/version.py')
setup(
name="deepchem-gui",
version=VERSION,
packages=find_packages(),
include_package_data=True,
package_data={
'deepchem-gui': ['static/deepchem-gui/*', 'static/ngl/*']
},
entry_points={
'console_scripts': [
'deepchem-gui = gui.cli.main:main',
],
},
platforms=["Linux", "Unix"],
author="Prasad Kawthekar",
author_email="*****@*****.**",
description="DeepChem GUI",
license="GPL-3.0",
)
from setuptools import setup, find_packages
from basesetup import write_version_py
VERSION = "0.1alpha"
ISRELEASED = False
write_version_py(VERSION, ISRELEASED, 'gui/version.py')
setup(
name="deepchem-gui",
version=VERSION,
packages=find_packages(),
include_package_data=True,
package_data={'deepchem-gui': ['static/deepchem-gui/*', 'static/ngl/*']},
entry_points={
'console_scripts': [
'deepchem-gui = gui.cli.main:main',
],
},
platforms=["Linux", "Unix"],
author="Prasad Kawthekar",
author_email="*****@*****.**",
description="DeepChem GUI",
license="GPL-3.0",)