pymatviz/pyproject.toml at main · janosh/pymatviz · GitHub

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[project]
name = "pymatviz"
version = "0.17.5"
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",
    "crystallography",
    "data analysis",
    "data visualization",
    "materials informatics",
    "plotly",
]
classifiers = [
    "Programming Language :: Python :: 3 :: Only",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3.13",
    "Programming Language :: Python :: 3.14",
]
urls = { Homepage = "https://github.com/janosh/pymatviz" }
requires-python = ">=3.11"
dependencies = [
    "anywidget>=0.9.18",
    "kaleido>=1.2.0",
    "moyopy[interface]>=0.7.1",
    "nbformat>=5.10",
    "numpy>=2",
    "pandas[output-formatting,xml]>=2.2", # output-formatting needed for pandas Stylers,
    # see https://github.com/pandas-dev/pandas/blob/-/pyproject.toml
    "plotly>=6.4",
    "pymatgen>=2025.10.7",
    "pyyaml>=6",
    "scikit-learn>=1.5",
    "scipy>=1.14",
]

[project.optional-dependencies]
make-assets = ["matminer>=0.9"]
gh-pages = ["jupyter>=1.1", "lazydocs>=0.4", "nbconvert>=7.16"]
phonons = ["phonopy>=2.31"] # only needed if user passes in phonopy objects
test = [
    "pymatviz[cluster, phonons]",
    "pytest-cov>=6",
    "pytest-split>=0.9",
    "pytest>=8",
]
export = ["playwright>=1.40"]
brillouin = ["seekpath>=2.1"]
cluster = ["matminer>=0.9"]
# umap-learn not included in cluster because its numba dep clashes with other packages
# <3.13 pin pending new llvmlite wheels https://github.com/lmcinnes/umap/issues/1163
umap = ["umap-learn>=0.5; python_version < '3.13'"]

[build-system]
requires = ["uv_build>=0.8.10"]
build-backend = "uv_build"

# TODO remove once orjson 3.11.8 gets x86_64 Linux wheels or 3.11.9 is released
[tool.uv]
constraint-dependencies = ["orjson!=3.11.8"]

[tool.uv.build-backend]
module-name = "pymatviz"
module-root = ""
source-include = ["pymatviz/**/*.csv", "pymatviz/**/*.yml"]
source-exclude = [".venv", "web"]

[tool.pytest.ini_options]
testpaths = ["tests"]
addopts = "-p no:warnings"

[tool.ruff]
target-version = "py311"
output-format = "concise"

[tool.ruff.lint]
select = ["ALL"]
ignore = [
    "ANN401",  # Any-type
    "C408",    # unnecessary-collection-call
    "C901",    # complex-structure
    "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",   # raw-string-in-exception
    "EM102",   # f-string-in-exception
    "ERA001",  # dead code
    "FIX002",  # line-contains-todo
    "PLC0415", # import should be at top-level
    "PLR0911", # too-many-return-statements
    "PLR0912", # too-many-branches
    "PLR0913", # function-with-too-many-arguments
    "PLR0915", # too-many-statements
    "PLR2004", # magic-number-comparison
    "PTH",     # prefer pathlib over os.path
    "S108",    # Probable insecure usage of temporary file or directory
    "SIM105",  # Use contextlib.suppress instead of try-except-pass
    "SLF001",  # Access private class members
    "TD",      # TODO related
    "TRY003",  # Avoid specifying long messages outside exception class
]
pydocstyle.convention = "google"
isort.lines-after-imports = 2
isort.split-on-trailing-comma = false
pep8-naming.ignore-names = ["E_kin", "E_pot", "E_tot", "kT"]

[tool.ruff.format]
docstring-code-format = true

[tool.ruff.lint.per-file-ignores]
"__init__.py" = ["F401"] # unused-import
"**/tests/*" = [
    "D100",    # missing-module-docstring
    "D101",    # missing-class-docstring
    "D103",    # missing-function-docstring
    "D107",    # missing-init-docstring
    "FBT001",  # boolean-type-hint-positional-argument
    "INP001",  # implicit-namespace-package
    "PLR2004", # magic-value-comparison
    "S101",    # use of assert
]
"examples/*" = [
    "INP001", # implicit-namespace-package
    "T201",   # print found
]
"assets/scripts/*" = [
    "INP001", # implicit-namespace-package
    "T201",   # print found
]

[dependency-groups]
dev = ["prek>=0.2.13", "ty>=0.0.1a25"]

[tool.ty.rules]
unused-type-ignore-comment = "ignore"
unused-ignore-comment = "ignore"
unresolved-import = "ignore"