deltascf-aims/pyproject.toml at main · maurergroup/deltascf-aims · GitHub

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[project]
name = "deltascf-aims"
version = "1.1.5"
description = "Application to calculate core holes in FHI-aims"
readme = "README.md"
authors = [{ name = "Dylan Morgan", email = "dylan.morgan@warwick.ac.uk" }]
requires-python = ">=3.10,<3.15"
dependencies = [
  "pyyaml>=6.0.2",
  "click>=8.1.7",
  "matplotlib>=3.9.2",
  "ase==3.22.1",
  "numpy>=2",
]

[project.urls]
Repository = "https://github.com/maurergroup/deltascf-aims"

[project.scripts]
deltascf = "deltascf_aims.cli:initialise"

[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"

[dependency-groups]
dev = ["ruff>=0.7.4", "ptpython>=3.0.29", "ipykernel>=6.29.5"]

[tool.ruff]
line-length = 88

[tool.ruff.analyze]
detect-string-imports = true

[tool.ruff.format]
# Enable reformatting of code snippets in docstrings.
docstring-code-format = true

[tool.ruff.lint]
# select = ['E4', 'E7', 'E9', 'F']  # Default
select = [
  "E1",
  "E4",
  "E5",
  "E7",
  "E9",
  "F",
  "ERA",
  "ANN",
  "S",
  "BLE",
  "F",
  "B",
  "A",
  "C4",
  "T10",
  "EM",
  "EXE",
  "ICN",
  "LOG",
  "G",
  "I",
  "INP",
  "PIE",
  "PYI",
  "PT",
  "RET",
  "SIM",
  "ARG",
  "PTH",
  "NPY",
  "N",
  "PERF",
  "DOC",
  "D",
  "PL",
  "UP",
  "RUF",
  "TRY",
]
ignore = [
  "ANN204",
  "ANN401",
  "D100",
  "D102",
  "D104",
  "D105",
  "D206",
  "D300",
  "E111",
  "E114",
  "E117",
  "EM101",
  "ERA001",
  "N803",
  "N806",
  "PLR2004",
  "PTH123",
  "TRY003",
]

# [tool.ruff.lint.per-file-ignores]

[tool.ruff.lint.pycodestyle]
# Limit docstrings to have the same number of characters as the code
max-doc-length = 88
# Do not trigger line-too-long warnings for comments starting with task notes (eg. TODO)
ignore-overlong-task-comments = true

[tool.ruff.lint.pydocstyle]
# Use numpy-style docstrings.
convention = "numpy"

[tool.ruff.lint.pylint]
# Maximum number of arguments allowed for a function or method definition
max-args = 10