pyproject.toml

########################
### Project Metadata ###
########################

[project]
name = "pystog"
description = "Total scattering function manipulator"
dynamic = ["version"]
requires-python = ">=3.10"
license = { text = "GPL-3.0-or-later" }
readme = "README.md"
keywords = ["neutrons", "pystog"]

[project.urls]
homepage = "https://github.com/neutrons/pystog/"
repository = "https://github.com/neutrons/pystog/"
issues = "https://github.com/neutrons/pystog/issues"

[project.scripts]
pystog-cli = "pystog.cli:pystog_cli"

####################
### Build config ###
####################

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

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

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

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

[tool.versioningit.vcs]
method = "git"
default-tag = "0.0.0"

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

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

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

###################
### Pixi config ###
###################

[tool.pixi.workspace]
name = "pystog"
platforms = ["linux-64", "osx-arm64", "win-64"]
channels = ["conda-forge", "https://prefix.dev/pixi-build-backends"]
# Required until the build feature becomes stable
preview = ["pixi-build"]

[tool.pixi.package]
name = "pystog"
version = "0.0.0"

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

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

[tool.pixi.package.run-dependencies]
h5py = "*"
numpy = ">=2.1,<3"

[tool.pixi.dependencies]
h5py = "*"
numpy = ">=2.1,<3"

[tool.pixi.pypi-dependencies]
pystog = { path = ".", editable = true }

# Environments and features

[tool.pixi.environments]
default = { features = [
    "dev",
    "docs",
    "test",
    "build",
], solve-group = "default" }
docs = { features = ["dev", "docs"], no-default-feature = true }
build = { features = ["build"], no-default-feature = true }

[tool.pixi.feature.build.dependencies]
anaconda-client = ">=1.13.0"
hatch = "*"
twine = ">=6.1.0,<7"
versioningit = ">=3.3.0"

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

[tool.pixi.feature.dev.dependencies]
pip = ">=25.1.1"
pip-audit = ">=2.9.0"
pre-commit = ">=4.2.0"
ruff = "*"
versioningit = ">=3.2.0"

[tool.pixi.feature.docs.dependencies]
sphinx = ">=8"
sphinx_rtd_theme = ">=3.0.1"

[tool.pixi.feature.test.dependencies]
codecov = ">=2.1.13"
pytest = ">=8.4.1"
pytest-cov = ">=6.2.1"

[tool.pixi.tasks]
# Documentation
build-docs = { cmd = 'sphinx-build -c docs/source/ -b html docs/source docs/_build/html', description = "Build documentation" }
test-docs = { cmd = "sphinx-build -M doctest docs/source docs/_build/html", description = "Test building the documentation" }
# Testing
test = { description = "Run the test suite", cmd = "pytest" }
# Packaging
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 = [
    "backup-toml",
    "sync-version",
    "conda-build-command",
    "reset-toml",
] }
conda-publish = { cmd = "anaconda upload *.conda", description = "Publish the .conda package to anaconda.org", depends-on = [
    "conda-build",
] }
pypi-build = { cmd = "hatch build", description = "Build the package for PyPI" }
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",
] }
# Misc
audit-deps = { cmd = "pip-audit --local -s osv", description = "Audit the package dependencies for vulnerabilities" }
clean = { cmd = 'rm -rf .mypy_cache .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-pypi = { cmd = "rm -rf dist", description = "Clean the PyPI build artifacts" }
clean-test = { cmd = "rm -rf dog* ft.dat out*", description = "Clean up test output" }
clean-all = { description = "Clean all artifacts", depends-on = [
    "clean",
    "clean-conda",
    "clean-docs",
    "clean-pypi",
    "clean-test",
] }
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" }
backup-toml = { cmd = "cp pyproject.toml pyproject.toml.bak", description = "Backup the pyproject.toml file" }
reset-toml = { cmd = "cp pyproject.toml.bak pyproject.toml; rm pyproject.toml.bak", description = "Reset the pyproject.toml file to the original state" }


##########################
### Pytest and CodeCov ###
##########################

[tool.coverage.run]
source = ["src/pystog"]
omit = ["test/*"]

[tool.pytest.ini_options]
pythonpath = [".", "src"]
testpaths = ["tests"]
python_files = ["test*.py"]

############
### Ruff ###
############

[tool.ruff]
line-length = 120

[tool.ruff.lint]
select = [
    "A",
    "ARG",
    "ASYNC",
    "BLE",
    "C90",
    "E",
    "F",
    "I",
    "N",
    "UP032",
    "W",
    "NPY",
]
ignore = [
    "N802",
    "N806", # function should be lowercase
    "N816", # Variable in global scope should not be mixedCase
]

[tool.ruff.lint.mccabe]
max-complexity = 20