-
Notifications
You must be signed in to change notification settings - Fork 1
/
setup.json
66 lines (66 loc) · 2.12 KB
/
setup.json
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
{
"name": "aiida-deepmd",
"author": "unkcpz",
"author_email": "[email protected]",
"description": "AiiDA plugin for DeepMD a machine learning potential function",
"url": "https://github.com/unkcpz/aiida-deepmd",
"license": "MIT",
"classifiers": [
"Programming Language :: Python",
"Intended Audience :: Science/Research",
"License :: OSI Approved :: MIT License",
"Natural Language :: English",
"Framework :: AiiDA"
],
"version": "0.1.0a0",
"entry_points": {
"aiida.data": [
"deepmd = aiida_deepmd.data:DiffParameters",
"deepmd.structures = aiida_deepmd.data.structure_set:StructureSet"
],
"aiida.calculations": [
"deepmd = aiida_deepmd.calculations.dp:DpCalculation"
],
"aiida.parsers": [
"dp_base_parser = aiida_deepmd.parsers:DpParser"
],
"aiida.cmdline.data": [
"deepmd = aiida_deepmd.cli:data_cli"
],
"aiida.workflows": [
"dp.base = aiida_deepmd.workflows.dp_base_workchain:DpBaseWorkChain",
"dp.train = aiida_deepmd.workflows.dp_base_workchain:DpTrainBaseWorkChain",
"dp.freeze = aiida_deepmd.workflows.dp_base_workchain:DpFreezeBaseWorkChain",
"deepmd.evaluate_base = aiida_deepmd.workflows.evaluate_base:DpEvaluateBaseWorkChain"
]
},
"include_package_data": true,
"setup_requires": ["reentry"],
"reentry_register": true,
"install_requires": [
"aiida-core>=1.1.0,<2.0.0",
"six",
"voluptuous"
],
"extras_require": {
"testing": [
"pgtest~=1.3.1",
"wheel~=0.31",
"coverage",
"pytest~=3.6,<5.0.0",
"pytest-cov"
],
"pre-commit": [
"astroid==2.2.5",
"pre-commit==1.20.0",
"prospector==1.1.7",
"pylint==2.3.1"
],
"docs": [
"sphinx",
"sphinxcontrib-contentui",
"sphinxcontrib-details-directive; python_version>='3.0'",
"sphinx-rtd-theme"
]
}
}