ChemFormula/pyproject.toml at main · molshape/ChemFormula · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
[project]
name = "chemformula"
version = "1.5.1"
description = "ChemFormula is a Python library for working with chemical formulas. It supports parsing formulas, generating formatted output strings, calculating molecular weights and weight distributions, and performing arithmetic operations on ChemFormula objects."
readme = { file = "README.md", content-type = "text/markdown" }
authors = [
    {name = "Axel Müller", email = "molshape@gmx.net"},
]
maintainers = [
    {name = "Axel Müller", email = "molshape@gmx.net"},
]
requires-python = ">=3.10"
dependencies = [
    "casregnum>=1.1.2",
]
classifiers = [
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3.13",
    "Programming Language :: Python :: 3.14",
    "Operating System :: OS Independent",
    "License :: OSI Approved :: MIT License",
    "Topic :: Scientific/Engineering :: Chemistry",
]

license = { text = "MIT" }
license-files = ["LICENSE"]

[project.urls]
Homepage = "https://github.com/molshape/ChemFormula"
Issues = "https://github.com/molshape/ChemFormula/issues"
Repository = "https://github.com/molshape/ChemFormula.git"

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

[dependency-groups]
dev = [
    "mypy>=1.18.1",
    "pytest>=8.4.1",
    "pytest-cov>=7.0.0",
    "pytest-sugar>=1.1.1",
    "ruff>=0.13.0",
    "twine>=6.2.0",
]

[tool.pytest.ini_options]
testpaths = ["tests"]
python_files = ["test_*.py"]
python_classes = ["Test*"]
python_functions = ["test_*"]
addopts = [
    "--strict-markers",
    "--verbose",
    "--cov=src",
    "--cov-branch",
    "--cov-report=term",
    "--cov-report=xml",
]

[tool.ruff]
line-length = 88
target-version = "py310"

[tool.ruff.lint]
select = [
    "E",  # pycodestyle errors
    "W",  # pycodestyle warnings
    "F",  # pyflakes
    "I",  # isort
    "B",  # flake8-bugbear
    "C4", # flake8-comprehensions
    "UP", # pyupgrade
]
ignore = [
    "E501", # line too long, handled by formatter
]

[tool.ruff.lint.per-file-ignores]
"tests/**/*" = ["F401", "F811"]

[tool.coverage.run]
source = ["src"]
omit = ["tests/*"]

[tool.coverage.report]
exclude_lines = [
    "pragma: no cover",
    "def __repr__",
    "if self.debug:",
    "if settings.DEBUG",
    "raise AssertionError",
    "raise NotImplementedError",
    "if 0:",
    "if __name__ == '__main__':",
]