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setup.py
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from setuptools import setup, find_packages, Extension
from setuptools.command.build_ext import build_ext
with open("README.md") as fh:
long_description = fh.read()
requirements = [
"scipy==1.3.1",
"biopython==1.74",
"numpy>=1.13.3, <=1.15.4",
'llvmlite==0.30.0',
"numba==0.46.0",
"matplotlib==3.0.0",
"requests>=2.22.0",
]
plmdca_compile_args = ["-fopenmp", "-std=c++11", "-O3"]
plmdca_link_args = ["-fopenmp", "-O3"]
plmdca_ext = Extension(
'pydca.plmdca._plmdcaBackend',
[
'pydca/plmdca/lbfgs/lib/lbfgs.cpp',
'pydca/plmdca/plmdca_numerics.cpp',
'pydca/plmdca/plmdcaBackend.cpp',
],
include_dirs=[
'pydca/plmdca/include/',
'pydca/plmdca/lbfgs/include/',
],
extra_compile_args = plmdca_compile_args,
extra_link_args = plmdca_link_args,
language = "c++",
)
setup(
name="pydca",
version="1.23",
author="Mehari B. Zerihun",
author_email="[email protected]",
python_requires=">=3.5",
description="Direct couplings analysis (DCA) for protein and RNA sequences",
long_description=long_description,
long_description_content_type="text/markdown",
url="https://github.com/KIT-MBS/pydca",
download_url="https://pypi.org/project/pydca/",
packages=find_packages(
exclude=["*.tests","*.tests.*","tests.*", "tests",
"*.extras", "*.extras.*", "extras.*", "extras",
"examples", "*.examples", "examples.*", "*.examples.*",
"install.sh",
],
),
ext_modules = [plmdca_ext],
classifiers=[
"Programming Language :: Python :: 3",
"Programming Language :: C++",
"Programming Language :: C",
"License :: OSI Approved :: MIT License",
"Development Status :: 4 - Beta",
"Operating System :: POSIX :: Linux",
"Topic :: Scientific/Engineering :: Bio-Informatics",
],
install_requires= requirements,
tests_require = requirements,
entry_points={
"console_scripts":[
"mfdca = pydca.mfdca_main:run_meanfield_dca",
"plmdca = pydca.plmdca_main:run_plm_dca",
"pydca = pydca.main:run_pydca",
],
},
test_suite="tests",
)