forked from nostrumbiodiscovery/pele_platform
-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathsetup.py
30 lines (28 loc) · 1.23 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
import pele_platform
from setuptools import setup, find_packages
# To use a consistent encoding
from codecs import open
from os import path
from distutils.extension import Extension
here = path.abspath(path.dirname(__file__))
ext_modules = []
cmdclass = {}
# Get the long description from the README file
with open(path.join(here, 'README.rst'), encoding='utf-8') as f:
long_description = f.read()
setup(
name="pele_platform",
version=pele_platform.__version__,
description='Automatic platform to launch PELE',
long_description=long_description,
url="https://github.com/NostrumBioDiscovery/pele_platform",
author='Daniel Soler',
author_email='[email protected]',
packages=find_packages(exclude=['docs', 'tests', 'tests.data']),
package_data={"pele_platform/AdaptivePELE/atomset": ['*.pxd'], "pele_platform/AdaptivePELE/freeEnergies/": ['*.pyx']},
include_package_data=True,
install_requires=["AdaptivePELE", "frag_pele>=2.1.3", "lib_prep", "PPPele==1.0.4", "PlopRotTemp==1.0.1", "PyYAML", "fpdf", "scikit-learn>0.2", "pillow", "scipy", "matplotlib",
"biopython", "pandas", "pytest", "cython", "numpy"],
cmdclass=cmdclass,
ext_modules=ext_modules # accepts a glob pattern
)