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James Graham
pycgtool
Commits
4d80c133
Commit
4d80c133
authored
7 years ago
by
James Graham
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Add setup.py
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4d80c133
from
setuptools
import
setup
,
find_packages
CLASSIFIERS
=
[
# How mature is this project? Common values are
# 3 - Alpha
# 4 - Beta
# 5 - Production/Stable
'
Development Status :: 5 - Production/Stable
'
,
# Indicate who your project is intended for
'
Intended Audience :: Science/Research
'
,
'
Topic :: Scientific/Engineering :: Chemistry
'
,
# Pick your license as you wish (should match "license" above)
'
License :: OSI Approved :: GNU General Public License v3 (GPLv3)
'
,
# Specify the Python versions you support here. In particular, ensure
# that you indicate whether you support Python 2, Python 3 or both.
'
Programming Language :: Python :: 3.3
'
,
'
Programming Language :: Python :: 3.4
'
,
'
Programming Language :: Python :: 3.5
'
,
'
Programming Language :: Python :: 3.6
'
]
setup
(
name
=
'
PyCGTOOL
'
,
version
=
'
1.0.0.post3
'
,
url
=
'
https://github.com/jag1g13/pycgtool
'
,
license
=
'
GPLv3
'
,
author
=
'
James Graham
'
,
author_email
=
'
J.A.Graham@soton.ac.uk
'
,
description
=
'
Automated generation of parameters for coarse-grained molecular dynamics simulation
'
,
entry_points
=
{
'
console_scripts
'
:
[
'
pycgtool.py=pycgtool.__main__:main
'
]},
packages
=
find_packages
(
exclude
=
[
'
test
'
]),
classifiers
=
CLASSIFIERS
,
keywords
=
'
molecular dynamics
'
,
test_suite
=
'
test
'
,
install_requires
=
[
'
numpy
'
,
'
simpletraj
'
],
extras_require
=
{
'
mdtraj
'
:
[
'
cython
'
,
'
scipy
'
,
'
mdtraj
'
],
'
numba
'
:
[
'
cython
'
,
'
numba
'
],
'
test
'
:
[
'
pytest
'
,
'
coverage
'
],
'
full
'
:
[
'
scipy
'
,
'
mdtraj
'
,
'
cython
'
,
'
numba
'
,
'
pytest
'
,
'
coverage
'
]
}
# data_files=[('pycgtool_data', [])]
)
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