pyproject.toml

[project]
name = "multiphonon"
description="Multiphonon scattering and multiple scattering correction for powder data"
dynamic = ["version"]
requires-python = ">=3.10"
dependencies = [

]
license = { text = "GPL-3.0-or-later" }
keywords= ["neutron, inelastic neutron scattering, powder, phonon"]

[project.urls]
homepage = "https://github.com/neutrons/multiphonon"  # if no homepage, use repo url

[build-system]
requires = [
  "hatchling",
  "versioningit"
]
build-backend = "hatchling.build"

[tool.hatch.version]
source = "versioningit"

[tool.hatch.build]
artifacts = ["*.yml", "*.yaml", "*.json"]

[tool.hatch.build.hooks.versioningit-onbuild]
source-file = "src/multiphonon/_version.py"
build-file = "multiphonon/_version.py"

[tool.hatch.build.targets.wheel]
packages = ["src/multiphonon"]

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

[tool.versioningit.vcs]
method = "git"
default-tag = "4.0.0"

[tool.versioningit.next-version]
method = "minor"

[tool.versioningit.format]
distance = "{next_version}.dev{distance}"
dirty = "{version}"
distance-dirty = "{next_version}.dev{distance}"

[tool.pytest.ini_options]
pythonpath = [
  ".","src",
]
testpaths = ["tests"]
python_files = ["test*.py", "*TestCase*.py"]
norecursedirs = [".git", "tmp*", "_tmp*", "__pycache__", "*dataset*", "*data_set*"]
markers = [
  "needs_mantid: mark a test that needs mantid",
  "needs_ipywe: mark a test that needs ipywe",
  "creates_extra_files: mark a test that creates additional temporary files"
]

[tool.ruff]
line-length = 124

[tool.ruff.lint]
select = ["A", "ARG","ASYNC","BLE","C90", "D", "E", "F", "I", "N", "UP032", "W"]
ignore = ["D203", # 1 blank line required before class docstring, conflict with D211
          "D213", # Multi-line docstring summary should start at the second line, conflict with D212
          "D205", # 1 blank line required between summary line and description, conflict
          # Unnecessary
          "ANN201", # Missing return type annotation for public function
          "D400", # First line should end with a period
          "D401", # First line of docstring should be in imperative mood
          "D404", # First word of the docstring should not be "This"
          "D415", #First line should end with a period, question mark, or exclamation point
          "F821", # Undefined name
          # For Future to be included
          "ARG001", # Unused function argument
          "ARG002", # Unused method argument
          "BLE001", # Do not catch blind exception
          "N802", # Function name should be lowercase
          "N803", # Argument name should be lowercase
          "N806", # Variable {name} in function should be lowercase
          "D100", # Missing docstring in public module
          "D101", # Missing docstring in public class
          "D102", # Missing docstring in public method
          "D103", # Missing docstring in public function
          "D104", # Missing docstring in public package
          "D107", # Missing docstring in __init__
          "D417", # Missing argument description in the docstring for {definition}: {name}
          "N812", # Lowercase {name} imported as non-lowercase {asname}
          "N815", # Variable in class scope should not be mixedCase
          "N816", # Variable in global scope should not be mixedCase
          "N818", # Exception name should be named with an Error suffix
          "N999", # Invalid module name
          "E731", # Do not assign a lambda expression, use a def
          "E741", # Ambiguous variable name
          "C901", # {name} is too complex ({complexity} > {max_complexity})
          "F841", # Local variable is assigned to but never used
          "E722", # Do not use bare except
          ]
exclude = ["docs/conf.py","tests/data/*"]


# ------------------ #
# Pixi configuration #
# ------------------ #
[tool.pixi.workspace]
preview = ["pixi-build"] # Need this to access pixi-build feature
platforms = ["linux-64"]
channels = [
  "conda-forge",
  "https://prefix.dev/pixi-build-backends",
  "mantid-ornl",
  "mantid",
  "neutrons",
  "neutrons/label/rc",
]

[tool.pixi.package]
name = "multiphonon"
version = "0.0.0" # placeholder, can be updated by task sync-version

[tool.pixi.package.build]
backend = { name = "pixi-build-python", version = "0.4.*" }

[tool.pixi.package.host-dependencies]
hatchling = "*"
versioningit = "*"

[tool.pixi.package.run-dependencies]
#dependencies for the conda package - for multiphonon to run
histogram = ">=0.4.3rc3"
pyside6 = ">=6.8.1"
numpy = ">=1.26.4"
scipy = ">=1.14.1"
mantid = ">=6.12.0.2"
ipywidgets = ">=8.1.7"

[tool.pixi.dependencies]
# Conda package dependencies for the local environment though pixi
histogram = ">=0.4.3rc3"
pyside6 = ">=6.8.1"
numpy = ">=1.26.4"
scipy = ">=1.14.1"
mantid = ">=6.12.0.2"
git-lfs = ">=3.7.0"
ipywidgets = ">=8.1.7"

[tool.pixi.pypi-dependencies]
# PyPI dependencies for the local environment though pixi
#including this package to allow local editable installs
multiphonon = { path = ".", editable = true }

[tool.pixi.environments]
#environment definitions with feature dependencies
default = { features = ["package", "developer","docs","test",], solve-group = "default" }

[tool.pixi.feature.package.dependencies]
#conda package
anaconda-client = ">=1.13.0"
check-wheel-contents = ">=0.6.2"
versioningit = ">=3.2.0"
hatch = "*"
#python package
pip = ">=26.0"

[tool.pixi.feature.package.pypi-dependencies]
toml-cli = "*"

#code analysis tools
[tool.pixi.feature.developer.dependencies]
pip = ">=26.0"
pip-audit = ">=2.9.0"
pre-commit = ">=4.2.0"
codecov = ">=2.1.13"

#readthedocs
[tool.pixi.feature.docs.dependencies]
sphinx = ">=8"
sphinx_rtd_theme = ">=3.0.1"
sphinxcontrib-mermaid = ">=1.0.0"
numpydoc = ">=1.9.0"

#pytest
[tool.pixi.feature.test.dependencies]
pytest = ">=8.4.1"
pytest-qt = ">=4.4.0"
pytest-cov = ">=6.2.1"
pytest-mock = ">=3.14.1"
pytest-xvfb = ">=3.1.1"

[tool.pixi.tasks]
# Documentation
build-docs = { cmd = 'sphinx-build -b html docs/ docs/_build/html', description = "Build documentation" }
test-docs = { cmd = "sphinx-build -M doctest docs/ docs/_build/html", description = "Test building the documentation" }
# Testing
test = { description = "Run the test suite", cmd = "pytest" }
# Packaging
pypi-sdist = { cmd = "hatch build -t sdist", description = "Build the source distribution (tar.gz)" }
pypi-wheel = { cmd = "hatch build -t wheel", description = "Build the wheel distribution" }
pypi-build = { description = "Build the packages for PyPI", depends-on = [
  "pypi-sdist",
  "pypi-wheel",
] }
pypi-publish = { cmd = "twine upload dist/*", description = "Publish the package to PyPI", depends-on = [
  "pypi-build",
] }
pypi-publish-test = { cmd = "twine upload --repository testpypi dist/*", description = "Publish the package to TestPyPI", depends-on = [
  "pypi-build",
] }
conda-build-command = { cmd = "pixi build", description = "Wrapper for building the conda package - used by `conda-build`" }
conda-build = { description = "Build the conda package", depends-on = [
    "sync-version",
    "conda-build-command",
    "reset-version",
] }
conda-publish = { cmd = "anaconda upload *.conda", description = "Publish the .conda package to anaconda.org", depends-on = [
    "conda-build",
] }
# Misc
audit-deps = { cmd = "pip-audit --local -s osv --ignore-vuln CVE-2026-34073", description = "Audit the package dependencies for vulnerabilities" }
clean = { cmd = 'rm -rf .pytest_cache .ruff_cache **/*.egg-info **/dist **/__pycache__ **/_version.py', description = "Clean up various caches and build artifacts" }
clean-conda = { cmd = "rm -f *.conda", description = "Clean the local .conda build artifacts" }
clean-docs = { cmd = "rm -rf docs/_build", description = "Clean up documentation build artifacts" }
clean-all = { description = "Clean all artifacts", depends-on = [
    "clean",
    "clean-conda",
    "clean-docs",
] }
sync-version = { cmd = 'version=$(python -m versioningit); toml set tool.pixi.package.version "$version" --toml-path pyproject.toml', description = "Sync pyproject.toml version with Git version" }
reset-version = { cmd = "toml set tool.pixi.package.version \"0.0.0\" --toml-path pyproject.toml", description = "Reset the package version to 0.0.0" }