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setup.py
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43 lines (41 loc) · 1.04 KB
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from setuptools import setup, find_packages
from Cython.Build import cythonize
import Cython.Compiler
import numpy as np
# Allows cimport'ing PBCCalculator
Cython.Compiler.Options.cimport_from_pyx = True
setup(
name = 'sitator',
version = '2.0.0',
description = 'Unsupervised landmark analysis for jump detection in molecular dynamics simulations.',
download_url = "https://github.com/Linux-cpp-lisp/sitator",
author = 'Alby Musaelian',
license = "MIT",
python_requires = '>=3.2',
packages = find_packages(),
ext_modules = cythonize(
[
"sitator/landmark/helpers.pyx",
"sitator/util/*.pyx",
"sitator/dynamics/*.pyx",
"sitator/misc/*.pyx"
],
language_level = 3
),
include_dirs=[np.get_include()],
install_requires = [
"numpy",
"scipy",
"matplotlib",
"ase",
"tqdm",
"sklearn"
],
extras_require = {
"SiteTypeAnalysis" : [
"pydpc",
"dscribe"
]
},
zip_safe = True
)