pyproject.toml

[build-system]
requires = ["setuptools>=65.0", "setuptools_scm[toml]>=7.1.0"]
build-backend = "setuptools.build_meta"

[project]
name = "qc-grid"
authors = [
  { name="QC-Devs Community", email="qcdevs@gmail.com" },
]
description = "Grid performs numerical integration, interpolation and differentiation."
readme = "README.md"
license = {text = "GPL-3.0-or-later"}
requires-python = ">=3.9"
classifiers = [
    'Development Status :: 5 - Production/Stable',
    'Environment :: Console',
    'License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)',
    'Operating System :: POSIX :: Linux',
    'Topic :: Scientific/Engineering :: Physics',
    'Topic :: Scientific/Engineering :: Chemistry',
    'Intended Audience :: Science/Research',
    "Intended Audience :: Education",
    "Natural Language :: English",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3.13",
]
dependencies = [
    "numpy>=1.16",
    "pytest>=8.0.0",
    "scipy>=1.4",
    "importlib_resources",
    "sympy",
]
dynamic = ["version"]

[project.urls]
Documentation = "https://grid.qcdevs.org"
Issues = "https://github.com/theochem/grid/issues"
Source = "https://github.com/theochem/grid/"
Changelog = "https://github.com/theochem/grid/blob/main/CHANGELOG.md"

[project.optional-dependencies]
doc = [
    "ipython",
    "numpydoc",
    "sphinx_copybutton",
    "sphinx-autoapi",
    "nbsphinx",
    "nbconvert",
    "sphinx_rtd_theme",
    "sphinx_autodoc_typehints",
    "docutils==0.16",  # Needed to show bullet points in sphinx_rtd_theme
    "nbsphinx-link"
]

[tool.black]
line-length = 100

[tool.ruff]
# E is pycodestyle
# F is pyflakes
# UP is pyupgrade - automatically updates syntax
# B is flake8-bugbear
# I is sort imports alphabetically
# PGH is pygrep-hooks
# PL is pylint
# RUF is Ruff-specific rules
select = ["E", "F", "UP", "B", "I", "PGH", "PL", "RUF"]
line-length = 100
ignore = ["PLR2004", "PLR0913", "PLR0912", "PLW2901", "PLR0915", "RUF013"]
extend-exclude = ["doc/*", "doc/*/*"]

[tool.pytest.ini_options]
minversion = "7.0"
testpaths = ["tests"]
addopts = "-v"

[tool.setuptools_scm]
write_to = "src/grid/_version.py"
# version_scheme = "guess-next-dev"
local_scheme = "node-and-timestamp"