POVME/pyproject.toml at main · durrantlab/POVME · GitHub

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[project]
name = "povme"
version = "2.2.2"
description = "Detect and characterize protein pockets."
authors = [
    {name = "Durrant Lab", email = "durrantj@pitt.edu"}
]
maintainers = [
    {name = "Jacob Durrant", email = "durrantj@pitt.edu"},
    {name = "Alex Maldonado", email = "alex.maldonado@pitt.edu"},
]
license = "Apache-2.0"
readme = "README.md"
requires-python = ">=3.10,<3.13"
# TODO: Keep this here until pixi releases building capabilities
dependencies = [
    "numpy>=2.1.3,<3",
    "scipy>=1.14.1,<2",
    "pydantic>=2.10.2,<3",
    "pyyaml>=6.0.2,<7",
    "loguru>=0.7.2,<0.8",
    "ray>=2.38.0,<3",
    "pymolecule@git+https://github.com/durrantlab/pymolecule",
]

[project.urls]
Repository = "https://github.com/durrantlab/POVME"
Documentation = "https://durrantlab.github.io/POVME/"
Homepage = "https://durrantlab.github.io/POVME/"

[project.scripts]
povme = "povme.cli:povme_cli"

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

[tool.setuptools.packages.find]
where = ["."]
include = ["povme*"]