PyHDX/pyproject.toml at master · Jhsmit/PyHDX · 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
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
[build-system]
requires = ["hatchling", "hatch-vcs"]
build-backend = "hatchling.build"


[project]
name = "pyhdx"
description = "Derive ΔG for single residues from HDX-MS data"
authors = [{ name = "Jochem Smit", email = "jhsmit@gmail.com" }]
license = "MIT"
readme = "README.md"
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "Natural Language :: English",
    "Programming Language :: Python :: 3.11",
]

requires-python = ">=3.11,<3.12"
dependencies = [
    "torch",
    "hdxrate",
    "numpy==1.25.2",
    "ultraplot",
    "matplotlib",
    "colorcet",
    "pandas",
    "scikit-image",
    "scipy",
    "symfit",
    "tqdm",
    "typer",
    "dask",
    "distributed",
    "packaging",
    "param<2",
    "pyyaml",
    "omegaconf",
    "hdxms-datasets>=0.3.3",
    "narwhals",
]
dynamic = ["version"]

[project.optional-dependencies]
web = [
    "panel==0.14.4",
    "bokeh==2.4.3",
    "holoviews==1.17.1",
    "colorcet",
    "hvplot==0.8.4",
    "param<2",
]
pdf = ["pylatex", "ultraplot"]
docs = [
    "mkdocs",
    "mkdocstrings[python]",
    "mkdocs-material",
    "pygments",
    "mkdocs-gen-files",
    "mkdocs-literate-nav",
    "mkdocs-jupyter",
]
dev = ["black[jupyter]"]
test = ["pytest>=7.2.0"]

[project.scripts]
pyhdx = 'pyhdx.cli:app'

[project.urls]
Source = "https://github.com/Jhsmit/PyHDX/"
Documentation = "https://pyhdx.readthedocs.io/en/stable/"

[tool.hatch.build]
exclude = ["_versioneer.py"]

[tool.hatch.version]
source = "vcs"

[tool.hatch.build.hooks.vcs]
version-file = "pyhdx/_version.py"

[tool.flake8]
max-line-length = 100
ignore = "D203"
exclude = [".git", "__pycache__", "build", "dist", "docs"]
max-complexity = 10

[tool.black]
line-length = 100

[tool.ruff]
line-length = 100
target-version = "py310"
exclude = ["docs/examples/04_plot_output.ipynb"]