pyproject.toml

[build-system]
requires = ["setuptools>=64", "setuptools_scm>=8"]
build-backend = "setuptools.build_meta"

[project]
name = "OPEs-ID"
authors = [{ name = "Xiong Yinran", email = "xiongyinran@hotmail.com" }]
description = """OPEs-ID is a user-friendly software based on fragments-dependent nontargeted screening and in silico fragmentation scoring (provided by Metfrag), \
                 aiming to provide a one-stop solution for the identification of OPEs based on LC-HRMS DDA data. \
                 More refer to https://doi.org/10.1016/j.jhazmat.2023.133275""" 
requires-python = ">=3.11"
license = { file = "LICENSE" }
dependencies = [
    "rdkit",
    "pandas",
    "scipy",
    "pymzml",
    "python-constraint",
    "tqdm",
    "nest_asyncio",
    "openpyxl",
    "requests",
    "numpy",
    "joblib",
]
dynamic = ["version", "readme"]

[tool.setuptools.dynamic]
# version = { attr = "OPEs_ID.__VERSION__" }
readme = {file = "README.md"}

[project.optional-dependencies]
gui = ['PySide6']

[project.gui-scripts]
OPEs_ID_gui = "OPEs_ID.gui:main"

[tool.setuptools_scm]