-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathpyproject.toml
123 lines (105 loc) · 3.16 KB
/
pyproject.toml
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
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
[build-system]
requires = ["setuptools>=61.0", "versioningit~=2.0", "wheel"]
build-backend = "setuptools.build_meta"
# Self-descriptive entries which should always be present
# https://packaging.python.org/en/latest/specifications/declaring-project-metadata/
[project]
name = "generate_alchemical_lammps_inputs"
description = "Functions to generate LAMMPS inputs for alchemical calculations."
dynamic = ["version"]
readme = "README.md"
authors = [
{ name = "Jennifer A. Clark", email = "jennifer.clark@nist.gov" }
]
# See https://pypi.org/classifiers/
classifiers = [
"License :: Other/Proprietary License",
"Programming Language :: Python :: 3",
]
requires-python = ">=3.8"
# Declare any run-time dependencies that should be installed with the package.
dependencies = [
"numpy",
"importlib-resources;python_version<'3.10'",
"sphinx > 2.1",
"docutils >= 0.17",
"myst_parser",
"sphinx_copybutton",
"pre-commit",
"black",
"nbsphinx"
]
# Update the urls once the hosting is set up.
[project.urls]
"GitHub Source" = "https://github.com/usnistgov/generate_alchemical_lammps_inputs/"
"Public Documentation" = "https://Docs4NIST.nist.gov/generate_alchemical_lammps_inputs/"
[project.optional-dependencies]
test = [
"pytest>=6.1.2",
"pytest-runner"
]
[tool.setuptools]
# This subkey is a beta stage development and keys may change in the future, see https://setuptools.pypa.io/en/latest/userguide/pyproject_config.html for more details
#
# As of version 0.971, mypy does not support type checking of installed zipped
# packages (because it does not actually import the Python packages).
# We declare the package not-zip-safe so that our type hints are also available
# when checking client code that uses our (installed) package.
# Ref:
# https://mypy.readthedocs.io/en/stable/installed_packages.html?highlight=zip#using-installed-packages-with-mypy-pep-561
zip-safe = false
include-package-data = false
license-files = ["LICENSES/*.md"]
[tool.setuptools.packages.find]
namespaces = false
where = ["src/"]
# Ref https://setuptools.pypa.io/en/latest/userguide/datafiles.html#package-data
[tool.setuptools.package-data]
generate_alchemical_lammps_inputs = [
"py.typed"
]
[tool.pytest.ini_options]
testpaths = ["src/tests"]
[tool.coverage.run]
source = ["src/"]
[tool.versioningit]
default-version = "1+unknown"
[tool.versioningit.format]
distance = "{base_version}+{distance}.{vcs}{rev}"
dirty = "{base_version}+{distance}.{vcs}{rev}.dirty"
distance-dirty = "{base_version}+{distance}.{vcs}{rev}.dirty"
[tool.versioningit.vcs]
# The method key:
method = "git" # <- The method name
# Parameters to pass to the method:
match = ["*"]
default-tag = "1.0.0"
[tool.versioningit.write]
file = "src/generate_alchemical_lammps_inputs/_version.py"
[tool.black]
line-length = 120
[tool.ruff]
line-length = 120
indent-width = 4
exclude = [
".eggs",
".git",
".git-rewrite",
".ipynb_checkpoints",
".mypy_cache",
".pyenv",
".pytest_cache",
".pytype",
".ruff_cache",
".venv",
".vscode",
"__pypackages__",
"_build",
"build",
"dist",
"site-packages",
"venv",
]
[tool.ruff.format]
indent-style = "space"
line-ending = "auto"