pyproject.toml

[project]
name="pybindingcurve"
version="1.2.3"
description="Protein ligand binding simulation in Python"
authors = [
    {name = "Steven Shave"},
]
readme = "README.md"
requires-python = ">=3.9"
keywords = ["molecular similarity", "ligand based virtual screening"]
dependencies = [
    "numpy>=1.26",
    "matplotlib>=3.8",
    "lmfit>=1.2.2",
    "mpmath>=1.3.0",
    "autograd>=1.6.2",
    ]
[build-system]
requires=[
    "setuptools>=68.2.2",
    ]
build-backend="setuptools.build_meta"

[tool.black]
skip-string-normalization = true
include = '''
(
    ^/tests/
  | ^/src/
  | ^/setup[.]py
)
'''
exclude = '''
(
    __pycache__
    |.*\.egg-info
)
'''

[tool.setuptools.packages.find]
where = ["src"]

[project.urls]
"Homepage" = "https://github.com/stevenshave/pybindingcurve"

[project.optional-dependencies]
dev = [
    'black==24.3.0',
    'pytest==8.1.1',
    'build==0.10.0',
]

[tool.pytest.ini_options]
"testpaths" = "tests/test*"