generated from FAIRmat-NFDI/nomad-plugin-template
-
Notifications
You must be signed in to change notification settings - Fork 1
/
pyproject.toml
137 lines (120 loc) · 3.4 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
124
125
126
127
128
129
130
131
132
133
134
135
136
137
[build-system]
requires = ["setuptools>=61.0.0", "setuptools-scm>=8.0"]
build-backend = "setuptools.build_meta"
[project]
classifiers = [
"Intended Audience :: Developers",
"Operating System :: OS Independent",
"Programming Language :: Python",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"License :: OSI Approved :: Apache Software License",
]
name = "nomad-utility-workflows"
description = "A module with utilities for interacting with NOMAD via, e.g., a workflow manager."
version = "0.1.0"
readme = "README.md"
requires-python = ">=3.9"
authors = [
{ name = "Joseph F. Rudzinski", email = "[email protected]" },
]
maintainers = [
{ name = "Joseph F. Rudzinski", email = "[email protected]" },
]
license = { file = "LICENSE" }
dependencies = [
"nomad-lab>=1.3.6.dev1",
"python-magic-bin; sys_platform == 'win32'",
"nomad-schema-plugin-simulation-workflow@git+https://github.com/nomad-coe/nomad-schema-plugin-simulation-workflow.git@develop",
"networkx",
"numpy>=1.25.0,<2.0.0",
"regex",
"pymbar>=4.0.1",
"jupyter>=1.0.0",
"jupyterlab",
"h5py",
"confuse",
"python-decouple",
"marshmallow-dataclass>=8.6.0",
"cachetools>=5.3.2",
"isort>=5.8.0",
"insane>=1.2.0",
"anyio>=3.0.0,<4.0",
"gravis>=0.1.0"
]
[project.urls]
Repository = "https://github.com/FAIRmat-NFDI/nomad-utility-workflows"
[project.optional-dependencies]
dev = ["ruff", "pytest", "structlog"]
[tool.ruff]
# Exclude a variety of commonly ignored directories.
exclude = [
".bzr",
".direnv",
".eggs",
".git",
".git-rewrite",
".hg",
".mypy_cache",
".nox",
".pants.d",
".pytype",
".ruff_cache",
".svn",
".tox",
".venv",
"__pypackages__",
"_build",
"buck-out",
"build",
"dist",
"node_modules",
"venv",
]
# Same as Black.
line-length = 88
indent-width = 4
[tool.ruff.lint]
select = [
# pycodestyle
"E",
# Pyflakes
"F",
# pyupgrade
"UP",
# isort
"I",
# pylint
"PL",
]
ignore = [
"F403", # 'from module import *' used; unable to detect undefined names
]
fixable = ["ALL"]
# Allow unused variables when underscore-prefixed.
dummy-variable-rgx = "^(_+|(_+[a-zA-Z0-9_]*[a-zA-Z0-9]+?))$"
# this is entirely optional, you can remove this if you wish to
[tool.ruff.format]
# use single quotes for strings.
quote-style = "single"
# indent with spaces, rather than tabs.
indent-style = "space"
# Like Black, respect magic trailing commas.
skip-magic-trailing-comma = false
# Like Black, automatically detect the appropriate line ending.
line-ending = "auto"
[tool.setuptools]
package-dir = { "" = "src" }
[tool.setuptools.packages.find]
where = ["src"]
[project.entry-points.'nomad.plugin']
parser_entry_point = "nomad_utility_workflows.parsers:parser_entry_point"
schema_package_entry_point = "nomad_utility_workflows.schema_packages:schema_package_entry_point"
normalizer_entry_point = "nomad_utility_workflows.normalizers:normalizer_entry_point"
app_entry_point = "nomad_utility_workflows.apps:app_entry_point"
example_upload_entry_point = "nomad_utility_workflows.example_uploads:example_upload_entry_point"
[tool.cruft]
# Avoid updating workflow files, this leads to permissions issues
skip = [".github/*"]