pixi.toml

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

[workspace]

# Supported platforms for the lock file (pixi.lock)
platforms = ['win-64', 'linux-64', { platform = 'osx-arm64', macos = '14.0' }]

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

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

# Default features:

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

# Non-default features:

# Set specific Python versions to be used in CI testing.

[feature.py-min.dependencies]
python = '3.11.*'

[feature.py-max.dependencies]
python = '3.13.*'

# Development dependencies for local development and testing with
# editable installations.

[feature.dev.dependencies]
nodejs = '*'      # Required for Prettier (non-Python formatting)
jupyterlab = '*'  # Jupyter notebooks
ipython = '*'     # Interactive Python shell
pixi-kernel = '*' # Pixi Jupyter kernel

[feature.dev.pypi-dependencies]
pip = '*'
easyreflectometry = { path = '.', editable = true, extras = ['dev'] }

# User-like behavior for testing with pip-installed dependencies instead
# of editable installations.

[feature.user.dependencies]
jupyterlab = '*'  # Jupyter notebooks
ipython = '*'     # Interactive Python shell
pixi-kernel = '*' # Pixi Jupyter kernel

[feature.user.pypi-dependencies]
pip = '*'
easydiffraction = '*'

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

[environments]

# The `default` feature is always included in all environments.
# Additional features can be specified per environment.

# Specific environments for CI testing with different Python versions.
py-311-env = { features = ['py-min', 'dev'] }
py-313-env = { features = ['py-max', 'dev'] }

# The `default` environment is developer-oriented for local development
# and testing with editable installation of the current package.
default = { features = ['py-max', 'dev'] }

# The `user` environment allows testing with pip-installed dependencies
# instead of editable installation of the current package.
user = { features = ['py-max', 'user'] }

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

[tasks]

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

# The bulk of the unit-test suite still lives at the top level of tests/
# (pending migration into tests/unit/), so run the whole tree minus the
# functional and integration subtrees -- otherwise CI coverage only sees
# the handful of files under tests/unit/.
# Expensive tests (real minimizer runs, samplers, long fits) carry the `slow`
# marker and are deselected by default -- see the `addopts` in pyproject.toml.
# Use `unit-tests-all` / `test-all` to include them, or `slow-tests` to run
# only them. CI runs the full set on pull requests, on master/develop and on
# manual dispatch; plain feature-branch pushes get the fast subset.
unit-tests = 'python -m pytest tests/ --ignore=tests/functional --ignore=tests/integration --color=yes -v'
functional-tests = 'python -m pytest tests/functional/ --color=yes -v'
# No -n auto: importing easyreflectometry pulls in arviz, and arviz 0.23.4
# (py-311-env) writes a "warn once per day" stamp file on import via a
# _atomic_write_text() that is not atomic -- every process writes the same
# fixed `daily_warning.tmp` and renames it onto `daily_warning`. Concurrent
# xdist workers therefore race on that rename: FileNotFoundError on Linux,
# PermissionError (WinError 32) on Windows. The real fix is
# to stop importing arviz in easyreflectometry/__init__.py, after which
# xdist can come back.
integration-tests = 'python -m pytest tests/integration/ --color=yes -v'
notebook-tests = 'python -m pytest --nbmake docs/docs/tutorials/**/ --nbmake-timeout=1200 --color=yes -n auto -v'

# Same trees as above, but with the `slow` tests selected back in. `-m` on the
# command line overrides the `-m "not slow"` in the pyproject addopts.
unit-tests-all = 'pixi run unit-tests -m "slow or not slow"'
integration-tests-all = 'pixi run integration-tests -m "slow or not slow"'
# Only the expensive tests, across the whole tree.
slow-tests = 'python -m pytest tests/ -m slow --color=yes -v'

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

###########
# ✔️ 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'

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'
success-message = 'echo "✅ All auto-formatting steps completed successfully!"'

fix = { depends-on = [
  'docstring-format-fix',
  'py-format-fix',
  'py-lint-fix',
  'nonpy-format-fix',
  'notebook-lint-fix',
  '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
#############

# Coverage always includes the slow tests: they cover the fitting paths that
# nothing else reaches, so leaving them out would understate the numbers.
unit-tests-coverage = 'pixi run unit-tests-all --cov=src/easyreflectometry --cov-report=term-missing'
functional-tests-coverage = 'pixi run functional-tests --cov=src/easyreflectometry --cov-report=term-missing'
integration-tests-coverage = 'pixi run integration-tests-all --cov=src/easyreflectometry --cov-report=term-missing'
docstring-coverage = 'interrogate -c pyproject.toml src/easyreflectometry'

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/**/*.ipynb'
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-strip',
  #'notebook-tweak',
] }

########################
# 📚 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 .copier-answers.yml --data template_type=lib'
copier-recopy = 'copier recopy --data-file .copier-answers.yml --data template_type=lib'
copier-update = 'copier update --data-file .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/reflectometry-lib -f has_wiki=false'
repo-discussions = 'gh api -X PATCH repos/easyscience/reflectometry-lib -f has_discussions=true'
repo-description = "gh api -X PATCH repos/easyscience/reflectometry-lib -f description='Reflectometry data analysis'"
repo-homepage = "gh api -X PATCH repos/easyscience/reflectometry-lib -f homepage='https://easyscience.github.io/reflectometry-lib'"
repo-config = { depends-on = [
  'repo-wiki',
  'repo-discussions',
  'repo-description',
  'repo-homepage',
] }

master-protection = 'gh api -X POST repos/easyscience/reflectometry-lib/rulesets --input .github/configs/rulesets-master.json'
develop-protection = 'gh api -X POST repos/easyscience/reflectometry-lib/rulesets --input .github/configs/rulesets-develop.json'
gh-pages-protection = 'gh api -X POST repos/easyscience/reflectometry-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/reflectometry-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
##########################
easyreflectometry = 'python -m easyreflectometry'

[dependencies]
ruff = ">=0.15.12,<0.16"
copier = ">=9.15.0,<10"