pyproject.toml

[build-system]
requires = ["setuptools>64.0.0", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "WaterNetworkAnalysis"
version = "0.4.0"
authors = [
    { name = "Domagoj Fijan" },
    { name = "Jelena Tosovic", email = "jecat_90@live.com" },
    { name = "Marko Jukic" },
    { name = "Urban Bren" },
]
description = "Set of tools for input preparation for conserved water search from MD trajectories (gromacs, amber) and their analysis"
readme = { file = "README.rst", content-type = "text/x-rst" }
license = { file = "LICENSE" }
keywords = [
    "simulation",
    "analysis",
    "molecular dynamics",
    "biosimulation",
    "conserved water",
]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
]
requires-python = ">=3.9"
dynamic = ["dependencies"]

[project.urls]
Homepage = "https://github.com/JecaTosovic/WaterNetworkAnalysis"
Documentation = "https://WaterNetworkAnalysis.readthedocs.io/"
Source = "https://github.com/JecaTosovic/WaterNetworkAnalysis"
Issue = "https://github.com/JecaTosovic/WaterNetworkAnalysis/issues"

[tool.setuptools.dynamic]
dependencies = { file = ["requirements/requirements.txt"] }

[tool.flake8]
max-line-length = 90
filename = ["*.py"]
exclude = [".eggs", "*.egg"]
select = ["E", "F", "W"]
ignore = [
    "E203",
    "E225",
    "E226",
    "E227",
    "E741",
    "E999",
    "W503",
    "W504",
    "E501",
]