content: [tool.black]
  line-length = 88
  target-version = ['py37']
  include = '\.pyi?$'
  exclude = '''(
    _version.py
  | clean/pdb2pqr/
  )'''
  
  [tool.isort]
  profile = "black"
  multi_line_output = 3
  
  [tool.tox]
  legacy_tox_ini = """
  [tox]
  envlist=py35,py36,py37,py38,py39
  changedir=./tests/
  
  [testenv]
  deps=
      pytest
  commands=
      py{35,36,37,38,39}: pytest test.py
  """
  [tool.poetry]
  name = "pypka"
  version = "2.10.0"
  description = "A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism"
  authors = ["Pedro Reis <pdreis@fc.ul.pt>"]
  license = "LGPLv3"
  readme = "README.md"
  homepage = "https://pypka.org"
  repository = "https://github.com/mms-fcul/PypKa"
  documentation = "https://pypka.readthedocs.io/en/latest/"
  classifiers = [
  	"Development Status :: 5 - Production/Stable",
  	"Intended Audience :: Science/Research",
    "Topic :: Scientific/Engineering"
  ]
  
  [tool.poetry.dependencies]
  python = ">=3.6.2,<4.0"
  psutil = "*"
  pytest = ">=6.2.5"
  delphi4py = "==1.3.0"
  pdbmender = "==0.6.1"
  numpy = [
      {version = ">=1.23.0", python = ">=3.8"},
      {version = ">=1.21.0", python = ">=3.7,<3.8"},
      {version = ">=1.19.0", python = ">=3.6,<3.7"}
  ]
  
  [tool.poetry.dev-dependencies]
  recommonmark = "*"
  sphinx = "*"
  sphinx-rtd-theme = "*"
  flake8 = "*"
  mypy = "*"
  bump2version = "*"
  pytest = "*"
  coverage = "*"
  pytest-cov = "*"
  isort = "*"
  tox = "*"
  black = "*"
  
  [build-system]
  requires = ["poetry-core>=1.0.0"]
  build-backend = "poetry.core.masonry.api"
  