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setup.py
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setup.py
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# Copyright (c) 2023 Graphcore Ltd. All rights reserved.
from pathlib import Path
from setuptools import setup
__version__ = "0.0.1"
def read_requirements(file):
pwd = Path(__file__).parent.resolve()
txt = (pwd / file).read_text(encoding="utf-8").split("\n")
def remove_comments(line: str):
return len(line) > 0 and not line.startswith(("#", "-"))
return list(filter(remove_comments, txt))
install_requires = read_requirements("requirements_core.txt")
cpu_requires = read_requirements("requirements_cpu.txt")
ipu_requires = read_requirements("requirements_ipu.txt")
test_requires = read_requirements("requirements_test.txt")
setup(
name="pyscf-ipu",
version=__version__,
description="PySCF on IPU",
long_description="file: README.md",
long_description_content_type="text/markdown",
license="Apache License 2.0",
author="Graphcore Research",
author_email="[email protected]",
url="https://github.com/graphcore-research/pyscf-ipu",
project_urls={
"Code": "https://github.com/graphcore-research/pyscf-ipu",
},
classifiers=[
"Development Status :: 3 - Alpha",
"Intended Audience :: Developers",
"Topic :: Scientific/Engineering",
"License :: OSI Approved :: Apache Software License",
"Programming Language :: Python :: 3",
],
install_requires=install_requires,
extras_require={"cpu": cpu_requires, "ipu": ipu_requires, "test": test_requires},
python_requires=">=3.8",
packages=["pyscf_ipu"],
entry_points={"console_scripts": ["nanoDFT=pyscf_ipu.nanoDFT:main"]},
)