-
Notifications
You must be signed in to change notification settings - Fork 49
/
setup.py
68 lines (62 loc) · 3.09 KB
/
setup.py
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
from distribute_setup import use_setuptools
use_setuptools()
from setuptools import setup, find_packages, Extension
from Cython.Distutils import build_ext
import numpy as np
ext_modules = [Extension('chemlab.libs.ckdtree', ['chemlab/libs/ckdtree.pyx']),
Extension('chemlab.utils.celllinkedlist',
['chemlab/utils/celllinkedlist.pyx']),
Extension('chemlab.utils.cdist',
['chemlab/utils/cdist.pyx']),
Extension('chemlab.molsim.rdf',
['chemlab/molsim/rdf.pyx']),
Extension('chemlab.graphics.renderers.utils',
['chemlab/graphics/renderers/utils.pyx']),
Extension('chemlab.libs.pyxdr._xdrfile',
["chemlab/libs/pyxdr/xdrfile.c",
"chemlab/libs/pyxdr/xdrfile_trr.c",
"chemlab/libs/pyxdr/xdrfile_xtc.c",
"chemlab/libs/pyxdr/_xdrfile.pyx"],
include_dirs=['./chemlab/libs/'])]
setup(
name = "chemlab",
version = "0.3",
packages = find_packages(),
cmdclass = {'build_ext': build_ext},
ext_modules = ext_modules,
include_dirs = [np.get_include()],
package_data = {'': ['distribute_setup.py', '*.rst', '*.txt'],
'chemlab.graphics.renderers.shaders': ['*.vert', '*.frag'],
'chemlab.graphics.postprocessing.shaders': ['*.vert', '*.frag'],
'chemlab.resources' : ["*"],
'chemlab.db.localdb.data' : ['*'],
'chemlab.db.localdb.molecule' : ['*'],
'chemlab.core.spacegroup': ['*']},
author = "Gabriele Lanaro",
scripts = ['scripts/chemlab'],
zip_safe = False,
author_email = "gabriele.lanaro@gmail.com",
description = "The python chemistry library you were waiting for",
long_description = '''
chemlab is a python library and a set of utilities built to ease the
life of the computational chemist. It takes inspiration from other
python scientific library such as numpy scipy and matplotlib, and aims
to bring a consistent and simple API by following the python
guidelines.
Computational and theoretical chemistry is a huge
field, and providing a program that encompasses all aspects of it is an
impossible task. The spirit of chemlab is to provide a common ground
from where you can build specific programs. For this reason it
includes an easily extendable molecular viewer and flexible data
structures field-independent.
''',
classifiers = ['Intended Audience :: Science/Research',
'Topic :: Scientific/Engineering :: Chemistry',
'Topic :: Scientific/Engineering :: Visualization',
'Topic :: Scientific/Engineering :: Physics',
'Topic :: Multimedia :: Graphics :: Viewers',
'Programming Language :: Python :: 2.7'],
license = "GPL3",
keywords = "chemistry molecular_viewer",
url = "https://chemlab.github.com/chemlab"
)