pyproject.toml

[project]
name = "biotraj"
requires-python = ">=3.10"
description = "Basic trajectory file format functionality for Biotite; forked from MDTraj"
readme = "README.rst"
authors = [
  {name = "Robert McGibbon"},
  {name = "The Biotite contributors"},
]
license = {"file" = "LICENSE.rst"}
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Developers",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: GNU Lesser General Public License v2 or later (LGPLv2+)",
    "Natural Language :: English",
    "Operating System :: POSIX :: Linux",
    "Operating System :: MacOS",
    "Operating System :: Microsoft :: Windows",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: Implementation :: CPython",
    "Topic :: Scientific/Engineering :: Bio-Informatics",
]
dependencies = [
  "numpy >= 1.25",
  "scipy >= 1.13",
]
dynamic = ["version"]

[project.optional-dependencies]
test = [
  "pytest",
  "psutil",
  "netcdf4 >= 1.7.1",
]
lint = [
  "ruff == 0.6.1",
]

[project.urls]
homepage = "https://www.biotite-python.org"
repository = "https://github.com/biotite-dev/biotraj"
documentation = "https://www.biotite-python.org"

[tool.ruff.lint.per-file-ignores]
# Force version module to be imported last to emphasize its special role
"src/biotraj/__init__.py" = ["I001"]

[tool.ruff.lint]
# pyflakes, pycodestyle isort and varibale naming
select = ["F", "E", "W", "I", "N"]
ignore = [
    # In docstrings long lines are often intentional
    # Most other ocassions are caught by the ruff formatter
    "E501",
]

[tool.ruff.lint.flake8-tidy-imports]
ban-relative-imports = "all"

[tool.ruff.lint.isort]
# No separator lines between import sections
no-lines-before = [
    "future",
    "standard-library",
    "third-party",
    "first-party",
    "local-folder",
]
order-by-type = true
known-first-party = ["biotraj"]

[tool.setuptools_scm]
version_file = "src/biotraj/version.py"

[build-system]
requires = [
    "setuptools>=64",
    "setuptools_scm>=8",
    "wheel",
    "numpy >= 2.0",
    "Cython >= 3.0"
]
build-backend = "setuptools.build_meta"