-
Notifications
You must be signed in to change notification settings - Fork 0
Expand file tree
/
Copy pathpyproject.toml
More file actions
167 lines (152 loc) · 5.54 KB
/
pyproject.toml
File metadata and controls
167 lines (152 loc) · 5.54 KB
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
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
[build-system]
requires = ["flit_core >=3.4,<4"]
build-backend = "flit_core.buildapi"
[project]
name = "oteapi-optimade"
authors = [
]
description = "OTE-API Plugin for OPTIMADE."
readme = "README.md"
license = {file = "LICENSE"}
classifiers = [
"Development Status :: 2 - Pre-Alpha",
"License :: OSI Approved :: MIT License",
"Programming Language :: Python :: 3",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
"Programming Language :: Python :: 3.13",
# "Framework :: OTEAPI",
"Environment :: Plugins",
"Natural Language :: English",
"Operating System :: OS Independent",
]
keywords = ["OTE", "OPTIMADE", "OTEAPI"]
requires-python = "~=3.10"
dynamic = ["version"]
dependencies = [
"DLite-Python ~=0.5.29,!=0.5.40",
"eval-type-backport ~=0.3.1",
"fastapi ~=0.136.0",
"optimade[mongo] ~=1.4",
"oteapi-core >=1.0.1,<2",
"oteapi-dlite >=1.0.1,<2",
"Pillow >=12.2.0", # for safety reason, not a direct dependency
"requests ~=2.33",
"uvicorn[standard] ~=0.45.0",
]
[project.optional-dependencies]
examples = [
"jupyter ~=1.1",
"otelib ~=1.0",
]
docs = [
"mike ~=2.2",
"mkdocs ~=1.6",
"mkdocs-awesome-pages-plugin ~=2.10",
"mkdocs-jupyter ~=0.26.3",
"mkdocs-material ~=9.7",
"mkdocstrings[python] ~=1.0",
"oteapi-optimade[examples]",
]
pre-commit = ["pre-commit ~=4.5"]
testing = [
"pytest ~=9.0",
"pytest-cov ~=7.1",
"pyyaml ~=6.0",
"requests-mock ~=1.12",
]
dev = ["oteapi-optimade[docs,examples,pre-commit,testing]"]
[project.urls]
Home = "https://github.com/SINTEF/oteapi-optimade"
Documentation = "https://SINTEF.github.io/oteapi-optimade"
Source = "https://github.com/SINTEF/oteapi-optimade"
"Issue Tracker" = "https://github.com/SINTEF/oteapi-optimade/issues"
Changelog = "https://github.com/SINTEF/oteapi-optimade/blob/main/CHANGELOG.md"
Package = "https://pypi.org/project/oteapi-optimade"
[project.entry-points."oteapi.filter"]
"oteapi_optimade.optimade" = "oteapi_optimade.strategies.filter:OPTIMADEFilterStrategy"
"oteapi_optimade.OPTIMADE" = "oteapi_optimade.strategies.filter:OPTIMADEFilterStrategy"
"oteapi_optimade.OPTiMaDe" = "oteapi_optimade.strategies.filter:OPTIMADEFilterStrategy"
[project.entry-points."oteapi.parse"]
"oteapi_optimade.parser/optimade" = "oteapi_optimade.strategies.parse:OPTIMADEParseStrategy"
"oteapi_optimade.parser/OPTIMADE" = "oteapi_optimade.strategies.parse:OPTIMADEParseStrategy"
"oteapi_optimade.parser/OPTiMaDe" = "oteapi_optimade.strategies.parse:OPTIMADEParseStrategy"
"oteapi_optimade.parser/optimade/dlite" = "oteapi_optimade.dlite.parse:OPTIMADEDLiteParseStrategy"
"oteapi_optimade.parser/OPTIMADE/dlite" = "oteapi_optimade.dlite.parse:OPTIMADEDLiteParseStrategy"
"oteapi_optimade.parser/OPTiMaDe/dlite" = "oteapi_optimade.dlite.parse:OPTIMADEDLiteParseStrategy"
"oteapi_optimade.parser/optimade/DLite" = "oteapi_optimade.dlite.parse:OPTIMADEDLiteParseStrategy"
"oteapi_optimade.parser/OPTIMADE/DLite" = "oteapi_optimade.dlite.parse:OPTIMADEDLiteParseStrategy"
"oteapi_optimade.parser/OPTiMaDe/DLite" = "oteapi_optimade.dlite.parse:OPTIMADEDLiteParseStrategy"
[project.entry-points."oteapi.resource"]
"oteapi_optimade.optimade/structures" = "oteapi_optimade.strategies.resource:OPTIMADEResourceStrategy"
"oteapi_optimade.OPTIMADE/structures" = "oteapi_optimade.strategies.resource:OPTIMADEResourceStrategy"
"oteapi_optimade.OPTiMaDe/structures" = "oteapi_optimade.strategies.resource:OPTIMADEResourceStrategy"
[tool.flit.module]
name = "oteapi_optimade"
[tool.flit.sdist]
exclude = [
".github/",
"tests/",
".gitignore",
".pre-commit-config.yaml",
]
[tool.mypy]
python_version = "3.10"
ignore_missing_imports = true
scripts_are_modules = true
warn_unused_configs = true
show_error_codes = true
allow_redefinition = true
enable_error_code = ["ignore-without-code", "redundant-expr", "truthy-bool"]
warn_unreachable = true
plugins = ["pydantic.mypy"]
[tool.ruff.lint]
extend-select = [
"B", # flake8-bugbear
"I", # isort
"ARG", # flake8-unused-arguments
"C4", # flake8-comprehensions
"EM", # flake8-errmsg
"ICN", # flake8-import-conventions
"G", # flake8-logging-format
"PGH", # pygrep-hooks
"PIE", # flake8-pie
"PL", # pylint
"PT", # flake8-pytest-style
"PTH", # flake8-use-pathlib
"RET", # flake8-return
"RUF", # Ruff-specific
"SIM", # flake8-simplify
"T20", # flake8-print
"YTT", # flake8-2020
"EXE", # flake8-executable
"PYI", # flake8-pyi
]
ignore = [
"PLC", # Convention related pylint codes
"PLR", # Refactor related pylint codes
"EM101", # Using a literal string in error messages
"EM102", # Using f-strings in error messages
]
isort.required-imports = ["from __future__ import annotations"]
[tool.ruff.lint.per-file-ignores]
"docs/examples/**" = [
"I002", # required imports (e.g., from __future__ import annotations)
"T20", # print statements
]
"tests/**" = [
"T20", # print statements
]
[tool.pytest.ini_options]
minversion = "8.3"
addopts = "-rs --cov=oteapi_optimade --cov-report=term-missing:skip-covered --no-cov-on-fail"
filterwarnings = [
# Fail on any warning
"error",
# Ignore pydantic warning emitted from OPT as of pydantic v2.11
"ignore:.*Accessing the 'model_fields' attribute on the instance is deprecated.*:pydantic.warnings.PydanticDeprecatedSince211",
# Ignore all DeprecationWarnings from 'dlite' package due to error in DLite-Python
"ignore::DeprecationWarning:dlite",
]