pixi.toml

#######################
# ENVIRONMENT VARIABLES
#######################

# Platform-independent

[activation.env]
PYTHONIOENCODING = 'utf-8'

# Platform-specific

# Ensures the main package is used from the source code during
# development, even if main package is installed in editable mode
# via uv. This is important because `pixi update` might replace
# the installed version with the latest released version.

# Unix/macOS
[target.unix.activation.env]
PYTHONPATH = "${PIXI_PROJECT_ROOT}/src${PYTHONPATH:+:${PYTHONPATH}}"

# Windows
[target.win.activation.env]
PYTHONPATH = "${PIXI_PROJECT_ROOT}/src;%PYTHONPATH%"

###########
# WORKSPACE
###########

[workspace]

# Supported platforms for the lock file (pixi.lock)
platforms = ['win-64', 'linux-64', 'osx-arm64']

# Channels for fetching packages
channels = ['conda-forge']

#####################
# SYSTEM REQUIREMENTS
#####################

[system-requirements]

# Set minimum supported version for macOS to be 14.0 to ensure packages
# like `skipp` that only have wheels for macOS 14.0+ (macosx_14_0_arm64)
# are used instead of building from source. This is a workaround for
# Pixi, see https://github.com/prefix-dev/pixi/issues/5667
macos = '14.0'

# Set minimum supported version for glibc to be 2.35 to ensure packages
# like `crysfml` that only have wheels for glibc 2.35+
# (manylinux_2_35_x86_64) are used.
#libc = { family = 'glibc', version = '2.35' }
libc = '2.35'

##########
# FEATURES
##########

# Default feature configuration

[dependencies]
nodejs = '*'      # Required for Prettier (non-Python formatting)
jupyterlab = '*'  # Jupyter notebooks
pixi-kernel = '*' # Pixi Jupyter kernel
gsl = '*'         # GNU Scientific Library; required for diffpy.pdffit2

[pypi-dependencies] # == [feature.default.pypi-dependencies]
pip = '*' # Native package installer
#pycrysfml = { version = ">=0.4.0", index = "https://easyscience.github.io/pypi/" }
easydiffraction = { path = '.', editable = true, extras = ['dev'] }

# Specific features: Set specific Python versions

[feature.py-min.dependencies]
python = '3.12.*'
[feature.py-max.dependencies]
python = '3.14.*'

##############
# ENVIRONMENTS
##############

[environments]

# The `default` feature is always included in all environments.
# Additional features can be specified per environment.
py-312-env = { features = ['py-min'] }
py-314-env = { features = ['py-max'] }

# The `default` environment is always created and includes the `default` feature.
# It does not need to be specified explicitly unless non-default features are included.
default = { features = ['py-max'] }

#######
# TASKS
#######

[tasks]

##################
# 🧪 Testing Tasks
##################

unit-tests = 'python -m pytest tests/unit/ --color=yes -v'
functional-tests = 'python -m pytest tests/functional/ --color=yes -v'
integration-tests = 'python -m pytest tests/integration/ --color=yes -n auto -v'
script-tests = 'python -m pytest tools/test_scripts.py --color=yes -n auto -v'
notebook-tests = 'python -m pytest --nbmake docs/docs/tutorials/ --nbmake-timeout=1200 --color=yes -n auto -v'

test = { depends-on = ['unit-tests', 'functional-tests'] }
test-all = { depends-on = [
  'unit-tests',
  'functional-tests',
  'integration-tests',
  'script-tests',
] }

###########
# ✔️ Checks
###########

pyproject-check = 'python -m validate_pyproject pyproject.toml'
docstring-lint-check = 'pydoclint --quiet src/'
notebook-lint-check = 'nbqa ruff docs/docs/tutorials/'
py-lint-check = 'ruff check src/ tests/ docs/docs/tutorials/'
py-format-check = 'ruff format --check src/ tests/ docs/docs/tutorials/'
nonpy-format-check = 'npx prettier --list-different --config=prettierrc.toml --ignore-unknown .'
nonpy-format-check-modified = 'python tools/nonpy_prettier_modified.py'
test-structure-check = 'python tools/test_structure_check.py'

check = 'pre-commit run --hook-stage manual --all-files'

##########
# 🛠️ Fixes
##########

docstring-transform = 'pixi run docstripy src/ -s=numpy -w'
docstring-format-fix = 'format-docstring src/'
notebook-lint-fix = 'nbqa ruff --fix docs/docs/tutorials/'
py-lint-fix = 'ruff check --fix src/ tests/ docs/docs/tutorials/'
py-lint-fix-unsafe = 'ruff check --fix --unsafe-fixes src/ tests/ docs/docs/tutorials/'
py-format-fix = 'ruff format src/ tests/ docs/docs/tutorials/'
nonpy-format-fix = 'npx prettier --write --list-different --config=prettierrc.toml --ignore-unknown .'
nonpy-format-fix-modified = 'python tools/nonpy_prettier_modified.py --write'
update-package-diagrams = 'python tools/generate_package_docs.py'
success-message = 'echo "✅ All auto-formatting steps completed successfully!"'

fix = { depends-on = [
  #'param-docstring-fix',  # ED only
  'docstring-format-fix',
  'py-format-fix',
  'py-lint-fix',
  'nonpy-format-fix',
  'notebook-lint-fix',
  'update-package-diagrams',
  'success-message',
] }

####################
# 🧮 Code Complexity
####################

complexity-check = 'radon cc -s src/'
complexity-check-json = 'radon cc -s -j src/'
maintainability-check = 'radon mi src/'
maintainability-check-json = 'radon mi -j src/'
raw-metrics = 'radon raw -s src/'
raw-metrics-json = 'radon raw -s -j src/'

#############
# 📊 Coverage
#############

unit-tests-coverage = 'pixi run unit-tests --cov=src/easydiffraction --cov-report=term-missing'
functional-tests-coverage = 'pixi run functional-tests --cov=src/easydiffraction --cov-report=term-missing'
integration-tests-coverage = 'pixi run integration-tests --cov=src/easydiffraction --cov-report=term-missing'
docstring-coverage = 'interrogate -c pyproject.toml src/easydiffraction'

cov = { depends-on = [
  'docstring-coverage',
  'unit-tests-coverage',
  'integration-tests-coverage',
] }

########################
# 📓 Notebook Management
########################

notebook-convert = 'jupytext docs/docs/tutorials/*.py --from py:percent --to ipynb'
notebook-strip = 'nbstripout docs/docs/tutorials/*.ipynb'
notebook-tweak = 'python tools/tweak_notebooks.py docs/docs/tutorials/'
notebook-exec = 'python -m pytest --nbmake docs/docs/tutorials/ --nbmake-timeout=1200 --overwrite --color=yes -n auto -v'

notebook-prepare = { depends-on = [
  'notebook-convert',
  'notebook-tweak',
  'notebook-strip',
] }

########################
# 📚 Documentation Tasks
########################

docs-vars = "JUPYTER_PLATFORM_DIRS=1 PYTHONWARNINGS='ignore::RuntimeWarning'"
docs-pre = 'pixi run docs-vars python -m mkdocs'
docs-serve = 'pixi run docs-pre serve -f docs/mkdocs.yml'
docs-serve-dirty = 'pixi run docs-serve --dirty'
docs-build = 'pixi run docs-pre build -f docs/mkdocs.yml'
docs-build-local = 'pixi run docs-build --no-directory-urls'

docs-deploy-pre = 'mike deploy -F docs/mkdocs.yml --push --branch gh-pages --update-aliases --alias-type redirect'
docs-set-default-pre = 'mike set-default -F docs/mkdocs.yml --push --branch gh-pages'

docs-update-assets = 'python tools/update_docs_assets.py'

##############################
# 📦 Template Management Tasks
##############################

copier-copy = 'copier copy gh:easyscience/templates . --data-file ../diffraction/.copier-answers.yml --data template_type=lib'
copier-recopy = 'copier recopy --data-file ../diffraction/.copier-answers.yml --data template_type=lib'
copier-update = 'copier update --data-file ../diffraction/.copier-answers.yml --data template_type=lib'

#####################
# 🪝 Pre-commit Hooks
#####################

pre-commit-clean = 'pre-commit clean'
pre-commit-install = 'pre-commit install --hook-type pre-commit --hook-type pre-push --overwrite'
pre-commit-uninstall = 'pre-commit uninstall --hook-type pre-commit --hook-type pre-push'
pre-commit-setup = { depends-on = [
  'pre-commit-clean',
  'pre-commit-uninstall',
  'pre-commit-install',
] }

#################
# 🐙️ GitHub Tasks
#################

repo-wiki = 'gh api -X PATCH repos/easyscience/diffraction-lib -f has_wiki=false'
repo-discussions = 'gh api -X PATCH repos/easyscience/diffraction-lib -f has_discussions=true'
repo-description = "gh api -X PATCH repos/easyscience/diffraction-lib -f description='Diffraction data analysis'"
repo-homepage = "gh api -X PATCH repos/easyscience/diffraction-lib -f homepage='https://easyscience.github.io/diffraction-lib'"
repo-config = { depends-on = [
  'repo-wiki',
  'repo-discussions',
  'repo-description',
  'repo-homepage',
] }

master-protection = 'gh api -X POST repos/easyscience/diffraction-lib/rulesets --input .github/configs/rulesets-master.json'
develop-protection = 'gh api -X POST repos/easyscience/diffraction-lib/rulesets --input .github/configs/rulesets-develop.json'
gh-pages-protection = 'gh api -X POST repos/easyscience/diffraction-lib/rulesets --input .github/configs/rulesets-gh-pages.json'
branch-protection = { depends-on = [
  'master-protection',
  'develop-protection',
  'gh-pages-protection',
] }

pages-deployment = 'gh api -X POST repos/easyscience/diffraction-lib/pages --input .github/configs/pages-deployment.json'

github-labels = 'python tools/update_github_labels.py'

#########################
# ⚖️ SPDX License Headers
#########################

license-remove = 'python tools/license_headers.py remove src/ tests/ --exclude-from-pyproject-toml tool.ruff.exclude'
license-add = 'python tools/license_headers.py add src/ tests/ --exclude-from-pyproject-toml tool.ruff.exclude'
license-check = 'python tools/license_headers.py check src/ tests/ --exclude-from-pyproject-toml tool.ruff.exclude'

####################################
# 🚀 Other Development & Build Tasks
####################################

default-build = 'python -m build'
dist-build = 'python -m build --wheel --outdir dist'

npm-config = 'npm config set registry https://registry.npmjs.org/'
prettier-install = 'npm install --no-save --no-audit --no-fund prettier prettier-plugin-toml'

clean-pycache = "find . -type d -name '__pycache__' -prune -exec rm -rf '{}' +"

post-install = { depends-on = [
  'npm-config',
  'prettier-install',
  #'pre-commit-setup',
] }

##########################
# 🔗 Main Package Shortcut
##########################
easydiffraction = 'python -m easydiffraction'