pyproject.toml

[build-system]
requires = ["setuptools>=61.0", "versioningit~=2.0"]
build-backend = "setuptools.build_meta"

# Self-descriptive entries which should always be present
# https://packaging.python.org/en/latest/specifications/declaring-project-metadata/
[project]
name = "red-molsim"
description = "Robust Equilibration Detection"
dynamic = ["version"]
readme = "README.md"
authors = [
    { name = "Finlay Clark", email = "finlay.clark@ed.ac.uk" }
]
license = { text = "MIT" }
# See https://pypi.org/classifiers/
classifiers = [
    "License :: OSI Approved :: MIT License",
    "Programming Language :: Python :: 3",
]
requires-python = ">=3.8"
# Declare any run-time dependencies that should be installed with the package.
dependencies = [
    "importlib-resources;python_version<'3.10'",
    "numpy>=1.20.0",
    "scipy>=1.6.0",
    "matplotlib>=3.3.0",
    "statsmodels>=0.12.0",
    "numba>=0.52.0",
]

# Update the urls once the hosting is set up.
#[project.urls]
#"Source" = "https://github.com/fjclark/red/"
#"Documentation" = "https://red.readthedocs.io/"

[project.optional-dependencies]
dev = [
  "mypy",
  "pytest>=6.1.2",
  "pytest-runner",
  "pytest-env",
  "ruff",
  "pre-commit",
  "types-PyYAML",
  "mkdocs",
  "mkdocs-material",
  "mkdocs-gen-files",
  "mkdocs-literate-nav",
  "mkdocs-jupyter",
  "mkdocstrings",
  "mkdocstrings-python",
  "black",
  "mike",
  "mkdocs-bibtex",
  "build",
  "twine",
]

[project.urls]
Homepage = "https://fjclark.github.io/red/latest/"

[tool.mypy]
exclude = 'tests/'
follow_imports = "silent"
ignore_missing_imports = true
strict = true
disable_error_code = "unused-ignore"
plugins = "numpy.typing.mypy_plugin"

[tool.ruff]
line-length = 100

[tool.ruff.lint]
ignore = ["PLR", "PLW", "C901"]
select = ["B","C","E","F","W","B9"]

[tool.ruff.lint.per-file-ignores]
"__init__.py" = ["F401"]
"red/tests/*.py" = ["F401", "F811"]

[tool.setuptools]
# This subkey is a beta stage development and keys may change in the future, see https://setuptools.pypa.io/en/latest/userguide/pyproject_config.html for more details
#
# As of version 0.971, mypy does not support type checking of installed zipped
# packages (because it does not actually import the Python packages).
# We declare the package not-zip-safe so that our type hints are also available
# when checking client code that uses our (installed) package.
# Ref:
# https://mypy.readthedocs.io/en/stable/installed_packages.html?highlight=zip#using-installed-packages-with-mypy-pep-561
zip-safe = false
# Let setuptools discover the package in the current directory,
# but be explicit about non-Python files.
# See also:
#   https://setuptools.pypa.io/en/latest/userguide/pyproject_config.html#setuptools-specific-configuration
# Note that behavior is currently evolving with respect to how to interpret the
# "data" and "tests" subdirectories. As of setuptools 63, both are automatically
# included if namespaces is true (default), even if the package is named explicitly
# (instead of using 'find'). With 'find', the 'tests' subpackage is discovered
# recursively because of its __init__.py file, but the data subdirectory is excluded
# with include-package-data = false and namespaces = false.
include-package-data = true
[tool.setuptools.packages.find]
namespaces = true
where = ["."]

# Ref https://setuptools.pypa.io/en/latest/userguide/datafiles.html#package-data
[tool.setuptools.package-data]
red = [
    "py.typed",
    "data/*.npy",
]

[tool.versioningit]
default-version = "1+unknown"

[tool.versioningit.format]
distance = "{base_version}+{distance}.{vcs}{rev}"
dirty = "{base_version}+{distance}.{vcs}{rev}.dirty"
distance-dirty = "{base_version}+{distance}.{vcs}{rev}.dirty"

[tool.versioningit.vcs]
# The method key:
method = "git"  # <- The method name
# Parameters to pass to the method:
match = ["*"]
default-tag = "0.1.1"

[tool.versioningit.write]
file = "red/_version.py"