pyGecko/pyproject.toml at main · GloriusGroup/pyGecko · GitHub

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
[build-system]
requires = ["setuptools>=61.0"]
build-backend = "setuptools.build_meta"

[project]
name = "pyGecko"
version = "0.1.0"
description = "An open-source Python libary for the parsing, processing and analysis of GC/MS and GC/FID raw data"
readme = "README.md"
requires-python = ">=3.10, <3.11"
license = {text = "MIT License"}
authors = [
    {name = "Felix Katzenburg", email = "felix.katzenburg@uni-muenster.de"}
]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: MIT License",
    "Operating System :: POSIX :: Linux",
    "Operating System :: Microsoft :: Windows :: Windows 11",
    "Programming Language :: Python :: 3.10",
]
dependencies = [
    "brain_isotopic_distribution==1.5.14",
    "epam.indigo==1.13.0",
    "lxml==5.1.0",
    "matplotlib==3.6.2",
    "numba==0.58.1",
    "numpy==1.26.3",
    "ord_schema==0.3.37",
    "pandas==2.0.3",
    "pybaselines==1.0.0",
    "pymzml==2.5.2",
    "pyteomics==4.6.2",
    "rdkit==2023.3.1",
    "reportlab==4.0.5",
    "scipy==1.11.4",
    "statsmodels==0.14.0",
    "xarray==2023.6.0",
    "scikit-learn==1.7.2",
    "psycopg2-binary"
]

[project.optional-dependencies]
test = ["pytest"]
docs = ["sphinx-rtd-theme==2.0.0"]

[tool.setuptools.packages.find]
where = ["."]
include = ["pygecko*"]

[tool.setuptools.package-data]
pygecko = ["config.ini"]

[tool.pytest.ini_options]
testpaths = ["tests"]