-
Notifications
You must be signed in to change notification settings - Fork 0
/
pyproject.toml
73 lines (67 loc) · 1.88 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
[build-system]
requires = ["flit_core >=3.4,<4"]
build-backend = "flit_core.buildapi"
[project]
name = "workgraph-collections"
dynamic = ["version"] # read from aiida_workgraph/__init__.py
description = "Collections of node-based workflow created using aiida-workgraph."
authors = [{name = "Xing Wang", email = "xingwang1991@gmail.com"}]
readme = "README.md"
license = {file = "LICENSE"}
classifiers = [
"Development Status :: 1 - Planning",
"Framework :: AiiDA",
"License :: OSI Approved :: MIT License",
"Operating System :: POSIX :: Linux",
"Operating System :: MacOS :: MacOS X",
"Programming Language :: Python",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Topic :: Scientific/Engineering"
]
keywords = ["aiida", "workflows"]
requires-python = ">=3.9"
dependencies = [
"aiida-workgraph>=0.4.1",
"ase>=3.23.0",
"ase-quantumespresso @ git+https://github.com/superstar54/ase-quantumespresso.git",
"aiida-quantumespresso",
"aiida-cp2k",
"aiida-bader",
]
[project.urls]
Documentation = "https://workgraph-collections.readthedocs.io"
Source = "https://github.com/superstar54/workgraph-collections"
[project.optional-dependencies]
docs = [
"sphinx_rtd_theme",
"sphinx~=7.2",
"sphinx-copybutton~=0.5.0",
"sphinx-design~=0.5.0",
"sphinx-notfound-page~=1.0",
"sphinxext-rediraffe~=0.2.4",
"sphinx-intl~=2.1.0",
"myst-nb~=1.0.0",
"nbsphinx",
]
pre-commit = [
"pre-commit~=2.2",
"pylint~=2.17.4",
]
tests = [
"pytest~=7.0",
"pytest-cov~=2.7,<2.11",
"playwright",
"httpx",
]
[tool.flit.sdist]
exclude = [
"docs/",
"tests/",
"aiida_workgraph/web/frontend/node_modules/",
"aiida_workgraph/widget/node_modules/",
]
[tool.pylint.format]
max-line-length = 120