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setup.py
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setup.py
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from setuptools import setup, find_packages
import sys
from ProteinDiffusionGenerator import __version__
with open("README.md", "r") as f:
readme = f.read()
def get_url_torch() -> str:
if sys.version_info[:2] == (3, 8):
_ver = "cp38"
elif sys.version_info[:2] == (3, 9):
_ver = "cp39"
elif sys.version_info[:2] == (3, 10):
_ver = "cp310"
else:
raise Exception(f"Python {sys.version} is not supported.")
# FIXME: how to download on macox??
if sys.platform == "win32":
_os = "win_amd64"
else:
_os = "linux_x86_64"
return f"https://download.pytorch.org/whl/cu113/torch-1.12.0%2Bcu113-{_ver}-{_ver}-{_os}.whl"
#
# source: https://download.pytorch.org/whl/cu113/
def get_url_torchvision() -> str:
# https://download.pytorch.org/whl/cu113/torchvision/
# return f"https://download.pytorch.org/whl/cu113/torchvision/torchvision-0.13.0+cu113-cp39-cp39-linux_x86_64.whl"
return f"https://download.pytorch.org/whl/cu113/torchvision-0.13.0%2Bcu113-cp39-cp39-linux_x86_64.whl"
def get_url_torchaudio() -> str:
return f"https://download.pytorch.org/whl/cu113/torchaudio-0.12.0%2Bcu113-cp39-cp39-linux_x86_64.whl"
print(get_url_torch())
print()
# ------------------------------------------------------------
# setup(
# name="OmegaFold",
# description="OmegaFold Release Code",
# long_description=readme,
# long_description_content_type="text/markdown",
# license="Apache-2.0",
# packages=find_packages(exclude=["tests", "tests.*"]),
# entry_points={"console_scripts": ["omegafold=omegafold.__main__:main",],},
# install_requires=[
# "biopython",
# f"torch@{get_url()}"
# ],
# python_requires=">=3.8",
# )
# # +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
# setup(
# name="ProteinDiffusionGenerator",
# version=__version__,
# description="ProteinDiffusionGenerator Release Code",
# long_description=readme,
# long_description_content_type="text/markdown",
# url='https://github.com/Bo-Ni/ProtenDiffusionGenerator_pip',
# author='Bo Ni',
# author_email='[email protected]',
# packages=find_packages(exclude=["tests", "tests.*"]),
# # entry_points={"console_scripts": ["omegafold=omegafold.__main__:main",],},
# install_requires=[
# ],
# python_requires=">=3.9",
# )
# +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
setup(
name="ProteinDiffusionGenerator",
version=__version__,
description="ProteinDiffusionGenerator Release Code",
long_description=readme,
long_description_content_type="text/markdown",
url='https://github.com/Bo-Ni/ProtenDiffusionGenerator_pip',
author='Bo Ni',
author_email='[email protected]',
packages=find_packages(exclude=["tests", "tests.*"]),
# entry_points={"console_scripts": ["omegafold=omegafold.__main__:main",],},
install_requires=[
f"torch@{get_url_torch()}",
# "torch==1.12.0+cu113",
f"torchvision@{get_url_torchvision()}",
# "torchvision==0.13.0+cu113",
f"torchaudio@{get_url_torchaudio()}",
# "torchaudio==0.12.0+cu113",
"nvidia-cudnn-cu11==8.6.0.163",
"tensorflow==2.12.0",
"OmegaFold @ git+https://github.com/HeliXonProtein/[email protected]",
# +++++++++++++++++++++++++++++++++
"biopython==1.81",
"pandas==2.0.0",
"seaborn==0.12.2",
"scikit-learn==1.2.2",
"kornia==0.6.12",
"einops==0.6.1",
"einops-exts==0.0.4",
"pytorch-warmup==0.1.1",
"ema-pytorch==0.2.3",
"accelerate==0.18.0",
"py3Dmol==2.0.1.post1",
"tqdm==4.65.0",
"fsspec==2023.4.0",
"Pillow==9.5.0",
# "jupyter",
],
dependency_links=[
'https://download.pytorch.org/whl/cu113/'
],
python_requires=">=3.9",
)