pyproject.toml

[project]
name = "deeplc"
version = "3.1.8"
description = "DeepLC: Retention time prediction for (modified) peptides using Deep Learning."
readme = "README.md"
license = { file = "LICENSE" }
authors = [
    { name = "Robbin Bouwmeester", email = "robbin.bouwmeester@ugent.be" },
    { name = "Niels Hulstaert" },
    { name = "Arthur Declercq" },
    { name = "Ralf Gabriels" },
    { name = "Lennart Martens" },
    { name = "Sven Degroeve" },
]
classifiers = [
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: Apache Software License",
    "Operating System :: OS Independent",
    "Programming Language :: Python :: 3",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
    "Development Status :: 5 - Production/Stable",
]
requires-python = ">=3.11"
keywords = [
    "DeepLC",
    "Proteomics",
    "deep learning",
    "peptides",
    "retention time",
    "prediction",
]

dependencies = [
    "tensorflow>=2.15.0,<3",
    "numpy>=1.17",
    "pandas>=0.25",
    "scikit-learn>=1.2.0",
    "deeplcretrainer>=1,<2",
    "psm_utils>=0.2.3"
]

[project.optional-dependencies]
test = ["pytest", "matplotlib>=3,<4"]
gui = ["gooey>=1.0"]
plot = ["plotly>=5"]
deepcallc = ["scikit-learn<2,>=0.24.0"]

[project.scripts]
deeplc = "deeplc.__main__:main"
deeplc-gui = "deeplc.gui:start_gui"

[project.urls]
GitHub = "https://github.com/compomics/deeplc"
PyPi = "https://pypi.org/project/deeplc/"
CompOmics = "https://www.compomics.com"

[build-system]
requires = ["setuptools"]
build-backend = "setuptools.build_meta"

[tool.setuptools]
packages = ["deeplc"]
include-package-data = true