pyproject.toml

[build-system]
requires = ["setuptools>=61.0.0", "setuptools-scm>=8.0"]
build-backend = "setuptools.build_meta"

[project]
classifiers = [
    "Intended Audience :: Developers",
    "Operating System :: OS Independent",
    "Programming Language :: Python",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "License :: OSI Approved :: Apache Software License",
]
name = "nomad-parser-dmft"
description = "A compilation of NOMAD parsers for input/output files of DMFT codes."
dynamic = ["version"]
readme = "README.md"
requires-python = ">=3.9"
authors = [
    { name = "Jose Pizarro", email = "jose.pizarro@physik.hu-berlin.de" },
]
maintainers = [
    { name = "Jose Pizarro", email = "jose.pizarro@physik.hu-berlin.de" },
]
license = { file = "LICENSE" }
dependencies = [
    "nomad-lab>=1.3.0",
    "nomad-simulations>=0.0.6",
    "nomad-schema-plugin-run>=1.0.1",
    "nomad-schema-plugin-simulation-workflow>=1.0.1",
]

[project.urls]
"Homepage" = "https://github.com/JosePizarro3/nomad-parser-dmft"
"Bug Tracker" = "https://github.com/JosePizarro3/nomad-parser-dmft/issues"
"Documentation" = "https://JosePizarro3.github.io/nomad-parser-dmft/"

[project.optional-dependencies]
dev = [
    "mypy==1.0.1",
    "ruff",
    "pytest",
    "pytest-timeout",
    "pytest-cov",
    "structlog",
]

[tool.uv]
index-url = "https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple"

[tool.ruff]
# Exclude a variety of commonly ignored directories.
exclude = [
    ".bzr",
    ".direnv",
    ".eggs",
    ".git",
    ".git-rewrite",
    ".hg",
    ".mypy_cache",
    ".nox",
    ".pants.d",
    ".pytype",
    ".ruff_cache",
    ".svn",
    ".tox",
    ".venv",
    "__pypackages__",
    "_build",
    "buck-out",
    "build",
    "dist",
    "node_modules",
    "venv",
]

# Same as Black.
line-length = 88
indent-width = 4


[tool.ruff.lint]
select = [
    # pycodestyle
    "E",
    # Pyflakes
    "F",
    # pyupgrade
    "UP",
    # isort
    "I",
    # pylint
    "PL",
]

ignore = [
    "F403", # 'from module import *' used; unable to detect undefined names
    "F401", # Module imported but unused
    "E501", # Line too long ({width} > {limit} characters)
    "E701", # Multiple statements on one line (colon)
    "E731", # Do not assign a lambda expression, use a def
    "E402",  # Module level import not at top of file
    "PLR0911", # Too many return statements
    "PLR0912", # Too many branches
    "PLR0913", # Too many arguments in function definition
    "PLR0915", # Too many statements
    "PLR2004", # Magic value used instead of constant
    "PLW0603", # Using the global statement
    "PLW2901", # redefined-loop-name
    "PLR1714", # consider-using-in
    "PLR5501", # else-if-used
]

fixable = ["ALL"]

# Allow unused variables when underscore-prefixed.
dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"

# this is entirely optional, you can remove this if you wish to
[tool.ruff.format]
# use single quotes for strings.
quote-style = "single"

# indent with spaces, rather than tabs.
indent-style = "space"

# Like Black, respect magic trailing commas.
skip-magic-trailing-comma = false

# Like Black, automatically detect the appropriate line ending.
line-ending = "auto"

[tool.setuptools]
package-dir = { "" = "src" }

[tool.setuptools.packages.find]
where = ["src"]

[project.entry-points.'nomad.plugin']
edmft_parser_entry_point = "nomad_parser_dmft:edmft_parser_entry_point"
soliddmft_parser_entry_point = "nomad_parser_dmft:soliddmft_parser_entry_point"
w2dynamics_parser_entry_point = "nomad_parser_dmft:w2dynamics_parser_entry_point"
schema_package_entry_point = "nomad_parser_dmft.schema_packages:schema_package_entry_point"


[tool.cruft]
# Avoid updating workflow files, this leads to permissions issues
skip = [".github/*"]