import os import sys from setuptools import setup, find_packages # Get the long description from the README file here = os.path.abspath(os.path.dirname(__file__)) with open(os.path.join(here, "README.md"), encoding="utf-8") as f: long_description = f.read() # Platform-specific pyopenms version (TMP workaround for macOS) def get_pyopenms_dep(): if sys.platform.lower().startswith("darwin"): return "pyopenms==3.3.0" # macOS else: # sys.platform.lower().startswith("linux"): return "pyopenms==3.4.0" # Linux or other platforms setup( name="dreams", packages=find_packages(), version="1.0.0", description="DreaMS (Deep Representations Empowering the Annotation of Mass Spectra)", author="DreaMS developers", license="MIT", long_description=long_description, long_description_content_type="text/markdown", url="https://github.com/pluskal-lab/DreaMS", install_requires=[ "numpy==1.25.0", "numba==0.58.0", "torch==2.2.1", "pytorch-lightning==2.0.8", "torchmetrics==1.3.2", "pandas==2.2.1", "pyarrow==15.0.2", "h5py==3.11.0", "rdkit==2023.9.6", "umap-learn==0.5.6", "seaborn==0.13.2", "plotly==5.20.0", "ase==3.22.1", "wandb==0.16.4", "pandarallel==1.6.5", "matchms==0.27.0", get_pyopenms_dep(), "igraph==0.11.4", "molplotly==1.1.7", "fire==0.6.0", "huggingface_hub==0.33.5", "setuptools==81.0.0", "msml @ git+https://github.com/roman-bushuiev/msml_legacy_architectures.git@main" ], extras_require={ "dev": [ "black==24.4.2", "pytest==8.2.1", "pytest-cov==5.0.0", "Cython==3.0.9", "SpectralEntropy @ git+https://github.com/YuanyueLi/SpectralEntropy@a1151cfcd9adc66e46f95fb3b06a660e1b0c9b56#egg=SpectralEntropy", ], "notebooks": [ "jupyter==1.0.0", "ipywidgets==8.1.3", ], # "search": [ # "faiss-cpu==1.9.0", # ], }, classifiers=[ "Programming Language :: Python :: 3", "License :: OSI Approved :: MIT License", "Operating System :: OS Independent", ], python_requires='>=3.10.13' )