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[project]
name = "maggma"
readme = "README.md"
dynamic = ["version"]
description="Framework to develop datapipelines from files on disk to full dissemenation API"
authors =[
{name = "The Materials Project", email = "feedback@materialsproject.org"}
]
classifiers=[
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.8",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Development Status :: 5 - Production/Stable",
"Intended Audience :: Science/Research",
"Intended Audience :: System Administrators",
"Intended Audience :: Information Technology",
"Operating System :: OS Independent",
"Topic :: Other/Nonlisted Topic",
"Topic :: Database :: Front-Ends",
"Topic :: Scientific/Engineering",
]
license = {file = "LICENSE"}
requires-python = ">=3.9"
dependencies = [
"setuptools",
"ruamel.yaml>=0.17",
"pydantic>=2.0",
"pydantic-settings>=2.0.3",
"pymongo>=4.2.0",
"monty>=2024.5.24",
"mongomock>=3.10.0",
"pydash>=4.1.0",
"jsonschema>=3.1.1",
"tqdm>=4.19.6",
"pandas>=2.2",
"jsonlines>=4.0.0",
"aioitertools>=0.5.1",
"numpy>=1.26",
"pyzmq>=25.1.1",
"dnspython>=1.16.0",
"sshtunnel>=0.1.5",
"msgpack>=0.5.6",
"orjson>=3.9.0",
"boto3>=1.20.41",
"python-dateutil>=2.8.2",
]
[project.urls]
Docs = "https://materialsproject.github.io/maggma/"
Repo = "https://github.com/materialsproject/maggma"
Package = "https://pypi.org/project/maggma"
[project.scripts]
mrun = "maggma.cli:run"
[project.optional-dependencies]
vasp = ["pymatgen"]
vault = ["hvac>=0.9.5"]
memray = ["memray>=1.7.0"]
montydb = ["montydb>=2.3.12"]
mongogrant = ["mongogrant>=0.3.1"]
notebook_runner = ["IPython>=8.11", "nbformat>=5.0", "regex>=2020.6"]
azure = ["azure-storage-blob>=12.16.0", "azure-identity>=1.12.0"]
api = ["fastapi>=0.42.0","uvicorn>=0.18.3"]
testing = [
"pytest",
"pytest-cov",
"pytest-mock",
"pytest-asyncio",
"pytest-xdist",
"pre-commit",
"moto>=5.0", # mock_s3 changed to mock_aws in v5
"ruff",
"responses<0.22.0",
"types-pyYAML",
"types-setuptools",
"types-python-dateutil",
"starlette[full]"
]
docs = [
"mkdocs>=1.4.0",
"mkdocs-material>=8.3.9",
"mkdocs-minify-plugin>=0.5.0",
"mkdocstrings[python]>=0.18.1",
"jinja2<3.2.0",
]
[build-system]
requires = ["setuptools>=61.0.0", "setuptools_scm[toml]>=5"]
build-backend = "setuptools.build_meta"
[tool.setuptools.packages.find]
where = ["src"]
[tool.setuptools_scm]
version_scheme = "no-guess-dev"
[tool.black]
line-length = 120
[tool.ruff]
line-length = 120
src = ["src"]
[tool.ruff.lint]
select = [
"B", # flake8-bugbear
"C4", # flake8-comprehensions
"D", # pydocstyle
"E", # pycodestyle error
"EXE", # flake8-executable
"F", # pyflakes
"FA", # flake8-future-annotations
"FLY", # flynt
"I", # isort
"ICN", # flake8-import-conventions
"ISC", # flake8-implicit-str-concat
"PD", # pandas-vet
"PERF", # perflint
"PIE", # flake8-pie
"PL", # pylint
"PT", # flake8-pytest-style
"PYI", # flakes8-pyi
"Q", # flake8-quotes
"RET", # flake8-return
"RSE", # flake8-raise
"RUF", # Ruff-specific rules
"SIM", # flake8-simplify
"SLOT", # flake8-slots
"TCH", # flake8-type-checking
"TID", # tidy imports
"TID", # flake8-tidy-imports
"UP", # pyupgrade
"W", # pycodestyle warning
"YTT", # flake8-2020
"NPY201", # numpy 2.0
]
ignore = [
"B023", # Function definition does not bind loop variable
"B028", # No explicit stacklevel keyword argument found
"B904", # Within an except clause, raise exceptions with ...
"C408", # unnecessary-collection-call
"D105", # Missing docstring in magic method
"D205", # 1 blank line required between summary line and description
"D212", # Multi-line docstring summary should start at the first line
"FA100", # Missing `from __future__ import annotations`, but uses `typing.XXX` TODO
"PD011", # pandas-use-of-dot-values
"PD901", # pandas-df-variable-name
"PT011", # `pytest.raises(XXXError)` is too broad, set the `match` parameter... TODO
"PERF203", # try-except-in-loop
"PERF401", # manual-list-comprehension (TODO fix these or wait for autofix)
"PLR", # pylint refactor
"PLW2901", # Outer for loop variable overwritten by inner assignment target
"PT013", # pytest-incorrect-pytest-import
"RUF012", # Disable checks for mutable class args. This is a non-problem.
"SIM105", # Use contextlib.suppress(OSError) instead of try-except-pass
]
pydocstyle.convention = "google"
isort.split-on-trailing-comma = false
[tool.ruff.lint.per-file-ignores]
"__init__.py" = ["F401"]
"tasks.py" = ["D"]
"tests/*" = ["D"]
"src/maggma/api/*" = ["B008", "B021", "RET505", "RET506"]
"tests/api/*" = ["B017", "B018"]
"src/maggma/cli/*" = ["EXE001"] # triggered by ! at top of file
[tool.pytest.ini_options]
minversion = "6.0"
addopts = "--color=yes -p no:warnings --import-mode=importlib --durations=30"
testpaths = [
"tests",
]
[tool.mypy]
ignore_missing_imports = true
namespace_packages = true
explicit_package_bases = true
no_implicit_optional = false
[tool.codespell]
ignore-words-list = "ot,nin"
skip = 'docs/CHANGELOG.md,tests/test_files/*'
|
