-
Notifications
You must be signed in to change notification settings - Fork 3
/
pyproject.toml
101 lines (91 loc) · 2.13 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
[project]
name = "mat3ra-made"
dynamic = ["version"]
description = "MAterials DEfinitions and/or MAterials DEsign library."
readme = "README.md"
requires-python = ">=3.8"
license = {file = "LICENSE.md"}
authors = [
{name = "Exabyte Inc.", email = "[email protected]"}
]
classifiers = [
"Programming Language :: Python",
"Programming Language :: Python :: 3",
"Development Status :: 3 - Alpha",
"Topic :: Software Development",
]
dependencies = [
# add requirements here
# new verison of numpy==2.0.0 is not handled by pymatgen yet
"numpy<=1.26.4",
"mat3ra-utils",
"mat3ra-esse",
"mat3ra-code",
]
[project.optional-dependencies]
# tracking separately the deps required to use the tools module
tools = [
"pymatgen==2024.4.13",
"ase",
"pymatgen-analysis-defects==2024.4.23",
]
dev = [
"pre-commit",
"black",
"ruff",
"isort",
"mypy",
"pip-tools",
]
tests = [
"coverage[toml]>=5.3",
"pytest",
"pytest-cov",
# B/c of https://github.com/binary-husky/gpt_academic/issues/1237
"gradio",
"pydantic",
"mat3ra-made[tools]",
]
all = [
"mat3ra-made[tests]",
"mat3ra-made[dev]",
]
# Entrypoint scripts can be defined here, see examples below.
[project.scripts]
# To proxy the wheel_server script from mat3ra-utils for development purposes
wheel_server = "mat3ra.utils.wheel_server:main"
[build-system]
requires = [
"setuptools>=42",
"setuptools-scm[toml]>=3.4"
]
build-backend = "setuptools.build_meta"
[tool.setuptools_scm]
git_describe_command = "git describe --tags --long"
[tool.setuptools.packages.find]
where = ["src/py"]
[tool.black]
line-length = 120
target-version = ['py38']
# 'extend-exclude' excludes files or directories in addition to the defaults
extend-exclude = '''
(
tests\/fixtures*,
examples\/.*\/.*\.py
| other\/.*\/.*\.(py|ipynb)
)
'''
[tool.ruff]
# Exclude a variety of commonly ignored directories.
extend-exclude = [
"src/js",
"tests/fixtures"
]
line-length = 120
target-version = "py38"
[tool.ruff.per-file-ignores]
"__init__.py" = ["F401"]
[tool.isort]
profile = "black"
multi_line_output = 3
include_trailing_comma = true