setup.py

#!/usr/bin/env python3

# Copyright (C) 2013 - 2017  Stanislav Markov
# Please see the accompanying LICENSE file for further information.

from setuptools import setup
from os.path import join
import os
import sys

if sys.version_info < (3, 0, 0, "final", 0):
    raise SystemExit("Python 3 is required!")

name = "skpar"
short_description = (
    "Optimisation of Slater-Koster files (.skf) "
    + "for density functional-based tight binding (DFTB)"
)
long_description = open("README.txt").read()

version = "0.2.4"

package_dir = {
    "skpar": "skpar",
}

packages = []
for dirname, dirnames, filenames in os.walk("skpar"):
    if "__init__.py" in filenames:
        packages.append(dirname.replace("/", "."))

package_data = {}

scripts = [
    "bin/skpar",
    "bin/dftbutils",
    "bin/check_dftblog",
    "bin/skpar_splinerepfit",
    "bin/skpar_addrepulsive",
]

## try to cater for windows
if "sdist" in sys.argv or os.name in ["ce", "nt"]:
    for s in scripts[:]:
        print("Making .bat files for Windows")
        scripts.append(s + ".bat")

# data_files needs (directory, files-in-this-directory) tuples
data_files = []

setup(
    name=name,
    version=version,
    description=short_description,
    long_description=long_description,
    url="https://github.com/smarkov/skpar",
    download_url="https://github.com/smarkov/skpar/archive/{}.tar.gz".format(version),
    author="Stanislav Markov, The University of Hong Kong",
    author_email="figaro@hku.hk",
    keywords=[
        "dftb",
        "slater-koster integrals",
        "dftb+",
        "lodestar",
        "particle swarm optimisation",
        "optimisation",
        "pso",
        "skpar",
    ],
    license="MIT",
    platforms=["any"],
    packages=packages,
    package_dir=package_dir,
    package_data=package_data,
    scripts=scripts,
    data_files=data_files,
    install_requires=["numpy", "scipy", "deap", "pyyaml", "matplotlib"],
    classifiers=[],
)