pyproject.toml

[build-system]
requires = ["setuptools>=40.8.0", "wheel", "fastentrypoints~=0.12"]
build-backend = "setuptools.build_meta"

[tool.pylint.master]
load-plugins = ["pylint_django", "utils.pylint_aiida"]
# this currently fails with aiida.common.exceptions.ProfileConfigurationError: no profile has been loaded
# we woud need a static settings module to use this
# django-settings-module = "aiida.backends.djsite.settings"

[tool.pylint.format]
max-line-length = 120

[tool.pylint.messages_control]
disable = [
    "bad-continuation",
    "bad-option-value",
    "consider-using-f-string",
    "cyclic-import",
    "django-not-configured",
    "duplicate-code",
    "import-outside-toplevel",
    "inconsistent-return-statements",
    "locally-disabled",
    "logging-fstring-interpolation",
    "no-else-raise",
    "raise-missing-from",
    "too-few-public-methods",
    "too-many-ancestors",
    "too-many-arguments",
    "too-many-instance-attributes",
    # this can be removed when https://github.com/PyCQA/astroid/issues/1015 is fixed
    "not-context-manager",
]

[tool.pylint.basic]
good-names = [
    "_",
    "x",
    "y",
    "z",
    "i",
    "j",
    "k",
    "pk",
    "fg",
    "nl",
    "TemplatereplacerCalculation",
    "ArithmeticAddCalculation",
    "MultiplyAddWorkChain"
]
no-docstring-rgx = "^_,setUp,tearDown"
docstring-min-length = 5

[tool.pylint.design]
max-locals = 20

[tool.pytest.ini_options]
minversion = "6.0"
addopts = "--benchmark-skip"
testpaths = [
    "tests",
]
filterwarnings = [
    "ignore::DeprecationWarning:babel:",
    "ignore::DeprecationWarning:django:",
    "ignore::DeprecationWarning:frozendict:",
    "ignore::DeprecationWarning:sqlalchemy:",
    "ignore::DeprecationWarning:yaml:",
    "ignore::DeprecationWarning:pymatgen:",
    "ignore::DeprecationWarning:jsonbackend:",
    "ignore::DeprecationWarning:pkg_resources:",
    "ignore::pytest.PytestCollectionWarning",
    "default::ResourceWarning",
]
markers = [
    "requires_rmq: requires a connection (on port 5672) to RabbitMQ",
    "sphinx: set parameters for the sphinx `app` fixture"
]

[tool.isort]
line_length = 120
force_sort_within_sections = true
# this configuration is compatible with yapf
multi_line_output = 3
include_trailing_comma = true

[tool.yapf]
based_on_style = "google"
column_limit = 120
dedent_closing_brackets = true
coalesce_brackets = true
align_closing_bracket_with_visual_indent = true
split_arguments_when_comma_terminated = true
indent_dictionary_value = false

[tool.mypy]
show_error_codes = true
check_untyped_defs = true
scripts_are_modules = true
warn_unused_ignores = true
warn_redundant_casts = true
no_warn_no_return = true
plugins = ["sqlalchemy.ext.mypy.plugin"]

[[tool.mypy.overrides]]
module = 'aiida.*'
# can only follow these imports when more of the code is typed
follow_imports = "skip"

[[tool.mypy.overrides]]
module = 'tests.*'
check_untyped_defs = false

[[tool.mypy.overrides]]
module = [
    'circus.*',
    'django.*',
    'kiwipy.*',
    'numpy.*',
    'ruamel.*',
    'scipy.*',
    'tqdm.*',
    'wrapt.*',
]
ignore_missing_imports = true

[tool.tox]
legacy_tox_ini = """
[tox]
envlist = py37-django

[testenv]
usedevelop=True
deps =
    py37: -rrequirements/requirements-py-3.7.txt
    py38: -rrequirements/requirements-py-3.8.txt
    py39: -rrequirements/requirements-py-3.9.txt

[testenv:py{36,37,38,39}-{django,sqla}]
passenv =
    PYTHONASYNCIODEBUG
setenv =
    django: AIIDA_TEST_BACKEND = django
    sqla: AIIDA_TEST_BACKEND = sqlalchemy
    SQLALCHEMY_WARN_20 = 1
commands = pytest {posargs}

[testenv:py{36,37,38,39}-verdi]
setenv =
    AIIDA_TEST_BACKEND = django
    AIIDA_PATH = {toxinidir}/.tox/.aiida
commands = verdi {posargs}

[testenv:py{36,37,38,39}-docs-{clean,update}]
description =
    clean: Build the documentation (remove any existing build)
    update: Build the documentation (modify any existing build)
passenv = RUN_APIDOC
setenv =
    update: RUN_APIDOC = False
changedir = docs
whitelist_externals = make
commands =
    clean: make clean
    make debug

[testenv:py{36,37,38,39}-docs-live]
# tip: remove apidocs before using this feature (`cd docs; make clean`)
description = Build the documentation and launch browser (with live updates)
deps =
    py37: -rrequirements/requirements-py-3.7.txt
    py38: -rrequirements/requirements-py-3.8.txt
    py39: -rrequirements/requirements-py-3.9.txt
    sphinx-autobuild
setenv =
    RUN_APIDOC = False
commands =
    sphinx-autobuild \
        --re-ignore build/.* \
        --port 0 --open-browser \
        -n -b {posargs:html} docs/source/ docs/build/{posargs:html}

[testenv:py{36,37,38,39}-pre-commit]
description = Run the pre-commit checks
extras = pre-commit
commands = pre-commit run {posargs}

[testenv:molecule-{django,sqla}]
description = Run the molecule containerised tests
skip_install = true
parallel_show_output = true
deps =
    ansible~=2.10.0
    docker~=4.2
    molecule[docker]~=3.1.0
setenv =
    MOLECULE_GLOB = .molecule/*/config_local.yml
    django: AIIDA_TEST_BACKEND = django
    sqla: AIIDA_TEST_BACKEND = sqlalchemy
passenv =
    AIIDA_TEST_WORKERS
commands = molecule {posargs:test}
"""