scape/pyproject.toml at main · scapeML/scape · GitHub

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[project]
name = "scape"
description = "Single-cell Analysis of Perturbational Effects - A neural network model for predicting drug perturbation effects on peripheral blood mononuclear cells"
version = "0.1.2"
authors = [
    { name = "Pablo Rodriguez-Mier", email = "pablo.rodriguez.mier@gmail.com" },
    { name = "Martin Garrido Rodriguez-Cordoba", email = "mgrcprof@gmail.com" },
]
requires-python = ">=3.9"
readme = "README.md"
license = { text = "MIT" }
keywords = ["single-cell", "bioinformatics", "machine-learning", "neural-networks", "drug-discovery", "jax", "keras"]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: MIT License",
    "Operating System :: OS Independent",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Topic :: Scientific/Engineering :: Artificial Intelligence",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
    "Topic :: Scientific/Engineering :: Medical Science Apps.",
]
dependencies = [
    "jax",
    "jaxlib",
    "pandas>=1.5.3",
    "scikit-learn>=1.2.2",
    "fastparquet>=2023.10.1",
    "keras>=3.6",
    "matplotlib",
    "requests"
]

[project.scripts]
scape = "scape.__main__:main"

[build-system]
requires = ["setuptools>=61.0", "wheel"]
build-backend = "setuptools.build_meta"

[tool.setuptools.packages.find]
exclude = ["models*", "_data*", "tests*", "docs*"]

[tool.pixi.workspace]
channels = ["conda-forge"]
platforms = ["linux-64", "osx-arm64", "osx-64"]

[tool.pixi.dependencies]
python = ">=3.9,<3.13"

[tool.pixi.pypi-dependencies]
scape = { path = ".", editable = true }

[tool.pixi.feature.dev.pypi-dependencies]
black = ">=23.11.0"
flake8 = ">=6.1.0"
pytest = ">=7.4.3"
build = "*"

[tool.pixi.tasks]
scape = { cmd = "python -m scape", env = { KERAS_BACKEND = "jax" } }
lint = "flake8 scape"
format = "black scape"
test = "pytest"
build = "uv build"
build-wheel = "uv build --wheel"
build-sdist = "uv build --sdist"
publish = "uv publish"
publish-test = "uv publish --publish-url https://test.pypi.org/legacy/"

[tool.pixi.environments]
default = { solve-group = "default" }
dev = { features = ["dev"], solve-group = "default" }