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setup.py
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setup.py
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#!/usr/bin/env python
from distutils.core import setup
from setuptools import find_packages
import re
VERSIONFILE = "aimstools/__init__.py"
verstrline = open(VERSIONFILE, "rt").read()
VSRE = r"^__version__ = ['\"]([^'\"]*)['\"]"
mo = re.search(VSRE, verstrline, re.M)
if mo:
version = mo.group(1)
else:
raise RuntimeError("Unable to find version string in %s." % (VERSIONFILE,))
setup(
name="aimstools",
version=version,
author="Roman Kempt",
author_email="[email protected]",
description="Tools for FHI-aims",
long_description=open("README.md").read(),
license="LGPLv3",
url="https://github.com/romankempt/aimstools",
download_url="https://github.com/romankempt/aimstools",
packages=find_packages(
exclude=[
"*.tests",
"*.tests.*",
"tests.*",
"tests",
"WIP",
"pictures",
"examples",
"docs",
"*__pycache__*",
"*vscode*",
]
),
package_data={"": ["*.mplstyle"]},
scripts=["bin/aims_prepare", "bin/aims_plot", "bin/aims_workflow"],
install_requires=[
"spglib",
"numpy",
"scipy",
"matplotlib",
"ase",
"networkx",
"pandas",
"pretty_errors",
"rich",
"pyyaml",
"typer",
"phonopy",
],
classifiers=[
"License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
"Operating System :: OS Independent",
"Programming Language :: Python :: 3.8",
"Topic :: Scientific/Engineering :: Chemistry",
"Topic :: Software Development :: Libraries :: Python Modules",
],
)