cyst-to-target-and-back/pyproject.toml at master · CDDLeiden/cyst-to-target-and-back · GitHub

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[build-system]
requires = ["setuptools>=61.0,<81"]
build-backend = "setuptools.build_meta"

[project]
name = "papyrus-bioactivity-linker"
dynamic = ["version"]
description = "A package to link a protein/small molecule activity dataset to HTS data using papyrus"
readme = { file = "README.md", content-type = "text/markdown" }
requires-python = ">=3.10"
license = { file = "LICENSE" }
keywords = ["cheminformatics", "target identification", "protein", "small molecule"]
authors = [{ name = "David Araripe", email = "david.araripe17@gmail.com" }]
maintainers = [{ name = "David Araripe", email = "david.araripe17@gmail.com" }]
classifiers = [
  "Development Status :: 4 - Beta",
  "License :: OSI Approved :: MIT License",
  "Operating System :: OS Independent",
  "Programming Language :: Python :: 3.10",
]

dependencies = [
    "pandas",
    "numpy",
    "papyrus-scripts",
    "papyrus-structure-pipeline",
    "venn",
    "matplotlib",
    "seaborn",
    "tqdm",
    "uniprot-id-mapper",
    "rdkit",
    "scipy",
    "chembl-structure-pipeline>=1.2.0",
    "chembl-webresource-client>=0.10.8",
    "chem-filters @ git+https://github.com/David-Araripe/chemFilters.git@cc4dbc22957ff540880fd13e1ad39aec981004f5",
    ]

[project.optional-dependencies]
dev = ["tox", "ruff", "isort", "black"]

[tool.setuptools]
include-package-data = true

[tool.setuptools.package-data]
where = ["src"]

[tool.setuptools.dynamic]
version = { attr = "papyrusBioactivityLinker.__version__" }

[tool.isort]
profile = "black"

[tool.black]
line-length = 110
target-version = ['py38']
required-version = '23.1.0'
exclude = '''
(
    asv_bench/env
  | \.egg
  | \.git
  | \.hg
  | \.mypy_cache
  | \.nox
  | \.tox
  | \.venv
  | _build
  | buck-out
  | build
  | dist
)
'''

[tool.ruff]
# Enable the pycodestyle (`E`) and Pyflakes (`F`) rules.
select = ["E", "F", "B", "W"]
ignore = []

# Exclude a variety of commonly ignored directories.
exclude = [
    ".bzr",
    ".direnv",
    ".eggs",
    ".git",
    ".git-rewrite",
    ".hg",
    ".mypy_cache",
    ".nox",
    ".pants.d",
    ".pytype",
    ".ruff_cache",
    ".svn",
    ".tox",
    ".venv",
    "__pypackages__",
    "_build",
    "buck-out",
    "build",
    "dist",
    "node_modules",
    "venv",
]

line-length = 110

# Assume Python 3.9.
target-version = "py39"