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pyproject.toml
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pyproject.toml
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[project]
name = "pymatviz"
version = "0.8.3"
description = "A toolkit for visualizations in materials informatics"
authors = [{ name = "Janosh Riebesell", email = "janosh.riebesell@gmail.com" }]
readme = "readme.md"
license = { file = "license" }
keywords = [
"chemistry",
"data visualization",
"materials discovery",
"materials informatics",
"matplotlib",
"plotly",
"science",
]
classifiers = [
"License :: OSI Approved :: MIT License",
"Programming Language :: Python :: 3 :: Only",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.9",
]
urls = { Homepage = "https://github.com/janosh/pymatviz" }
requires-python = ">=3.9"
dependencies = [
"matplotlib>=3.6.2",
"numpy>=1.21.0",
"pandas>=2.0.0",
"plotly",
"pymatgen",
"scikit-learn",
"scipy",
]
[project.optional-dependencies]
test = [
"adjustText",
"jinja2",
"kaleido",
"pdfCropMargins",
"pytest",
"pytest-cov",
"weasyprint",
]
data-src = ["matminer", "mp_api"]
export-figs = ["kaleido"]
gh-pages = ["jupyter", "lazydocs", "nbconvert"]
# needed for pandas Stylers, see https://github.com/pandas-dev/pandas/blob/-/pyproject.toml
df-pdf-export = ["jinja2", "pdfCropMargins", "weasyprint"]
auto-text-pos = ["adjustText"]
[tool.setuptools.packages]
find = { include = ["pymatviz*"], exclude = ["tests*"] }
[tool.setuptools.package-data]
pymatviz = ["*.csv"]
[tool.distutils.bdist_wheel]
universal = true
[build-system]
requires = ["setuptools>=61.2"]
build-backend = "setuptools.build_meta"
[tool.pytest.ini_options]
testpaths = ["tests"]
addopts = "-p no:warnings"
[tool.mypy]
check_untyped_defs = true
disallow_any_generics = true
disallow_incomplete_defs = true
disallow_untyped_defs = true
warn_redundant_casts = true
warn_unused_ignores = true
show_error_codes = true
no_implicit_optional = false
[tool.ruff]
target-version = "py39"
[tool.ruff.lint]
select = ["ALL"]
ignore = [
"ANN101",
"ANN102",
"ANN401",
"B028", # No explicit stacklevel keyword argument found
"C408", # unnecessary-collection-call
"C901",
"COM812", # trailing comma missing
"D205", # 1 blank line required between summary line and description
"E731", # do not assign a lambda expression, use a def
"EM101",
"EM102",
"ERA001",
"FIX002",
"ISC001",
"N806", # non-lowercase-variable-in-function
"NPY002",
"PLR0911", # too-many-return-statements
"PLR0912", # too-many-branches
"PLR0913", # function-with-too-many-arguments
"PLR0915", # too-many-statements
"PLR2004", # magic-number-comparison
"PT006", # pytest-parametrize-names-wrong-type
"PTH",
"RUF001", # ambiguous-unicode-character-string
"S311",
"SIM105", # Use contextlib.suppress() instead of try-except-pass
"TD",
"TRY003",
]
pydocstyle.convention = "google"
isort.lines-after-imports = 2
isort.split-on-trailing-comma = false
[tool.ruff.format]
docstring-code-format = true
[tool.ruff.lint.per-file-ignores]
"__init__.py" = ["F401"]
"tests/*" = ["D", "FBT001", "FBT002", "PLR2004", "S101"]
# T201: print found
# D100: Missing docstring in public module
"examples/*" = ["D100", "INP001", "T201"]
"site/*" = ["D", "INP001", "S602"]
[tool.pyright]
typeCheckingMode = "off"
reportPossiblyUnboundVariable = true
reportUnboundVariable = true