pyproject.toml

# This file is part of tad-dftd4.
#
# SPDX-Identifier: LGPL-3.0
# Copyright (C) 2022 Marvin Friede
#
# tad-dftd4 is free software: you can redistribute it and/or modify it under
# the terms of the GNU Lesser General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# tad-dftd4 is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
# GNU Lesser General Public License for more details.
#
# You should have received a copy of the GNU Lesser General Public License
# along with tad-dftd4. If not, see <https://www.gnu.org/licenses/>.
[build-system]
requires = ["setuptools"]
build-backend = "setuptools.build_meta"


[tool.pytest.ini_options]
addopts = "--doctest-modules"
testpaths = ["test"]
pythonpath = ["src"]
markers = [
  "grad: Marks tests which perform 'gradcheck' evaluations, this can be slow.",
  "large: Marks tests for large molecules, this can be slow.",
]


[tool.mypy]
check_untyped_defs = true
disallow_any_generics = true
disallow_incomplete_defs = true
disallow_untyped_defs = true
warn_redundant_casts = true
warn_unreachable = true
warn_unused_ignores = true


[tool.coverage.run]
plugins = ["covdefaults"]
source = ["./src"]
omit = ["./src/tad_dftd4/_typing.py"]

[tool.coverage.report]
fail_under = 70