1- [build-system ]
2- requires = [" poetry-core>=1.0.0" ]
3- build-backend = " poetry.core.masonry.api"
4-
5- [tool .poetry ]
1+ [project ]
62name = " simms"
73version = " 0.0.1"
84description = " Faster Similarity for Mass Spec on GPU"
9- authors = [" Tornike Onoprishvili <tornikeonoprishvili@gmail.com> " ]
10-
11- license = " MIT "
5+ authors = [
6+ { name = " Tornike Onoprishvili " , email = " tornikeonoprishvili@gmail.com " }
7+ ]
128readme = " README.md"
13- repository = " https://github.com/PangeAI/simms"
14- keywords = [
15- " similarity measures" ,
16- " mass spectrometry" ,
17- " fuzzy matching" ,
18- " fuzzy search"
9+ license = " MIT"
10+ requires-python = " >=3.8,<3.13"
11+ dependencies = [
12+ " matchms>=0.24" ,
13+ " torch~=2" ,
14+ " tqdm" ,
15+ " joblib~=1" ,
16+ " pooch~=1" ,
1917]
20-
2118classifiers = [
2219 " Development Status :: 4 - Beta" ,
2320 " Intended Audience :: Education" ,
@@ -26,31 +23,42 @@ classifiers = [
2623 " License :: OSI Approved :: MIT License" ,
2724 " Natural Language :: English" ,
2825 " Programming Language :: Python :: 3" ,
29- " Programming Language :: Python :: 3.9"
26+ ]
27+ keywords = [
28+ " similarity measures" ,
29+ " mass spectrometry" ,
30+ " fuzzy matching" ,
31+ " fuzzy search" ,
32+ " CUDA" ,
3033]
3134
32- [tool .poetry .dependencies ]
33- python = " >=3.8"
34- matchms = " >=0.24.0"
35- torch = " ^2.2.0"
36- tqdm = " ^4.65.0"
37- joblib = " ^1.3.2"
38- pooch = " ^1.8.1"
35+ [project .urls ]
36+ homepage = " https://github.com/PangeAI/simms"
37+ repository = " https://github.com/PangeAI/simms"
38+ "Bug Tracker" = " https://github.com/PangeAI/simms/issues"
39+
40+ [build-system ]
41+ requires = [" poetry-core>=1.0.0" ]
42+ build-backend = " poetry.core.masonry.api"
43+
44+ [tool .poetry ]
45+ package-mode = true
46+
47+ [tool .poetry .group .docs ]
48+ optional = true
3949
4050[tool .poetry .group .dev .dependencies ]
51+ pytest = " ^7.4.0"
4152decorator = " ^5.1.1"
4253isort = " ^5.12.0"
4354pylint = " ^2.17.5"
44- prospector = {extras = [" with-pyroma" ], version = " ^1.10.2" }
45- pytest = " ^7.4.0"
4655tbb = " ^2021.12.0"
4756pytest-cov = " ^4.1.0"
4857pytest-benchmark = {extras =[" histogram" ], version =" ^4.0.0" }
4958yapf = " ^0.40.1"
5059testfixtures = " ^7.1.0"
5160twine = " ^4.0.2"
5261black = " ^23.7.0"
53- poetry-bumpversion = " ^0.3.1"
5462
5563[tool .poetry .group .docs .dependencies ]
5664sphinxcontrib-apidoc = " ^0.3.0"
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