fpembed/pyproject.toml at main · Sciencealone/fpembed · 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
[build-system]
requires = ["setuptools>=68.0", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "fpembed"
version = "0.1.3"
description = "Generalized fingerprint embedding library"
requires-python = ">=3.9"
dependencies = [
    "scikit-fingerprints>=2.0.0",
    "selfies>=2.2.0",
]
readme = "README.md"
license = "MIT"
license-files = ["LICENSE*"]

[project.optional-dependencies]
app = [
    "nicegui>=3.8.0",
    "optuna>=3.1.0",
    "pyyaml>=6.0",
    "altair>=5.0",
    "pandas>=1.5.2",
    "scikit-learn>=1.2.0",
    "tqdm>=4.64.1",
]

[tool.setuptools.packages.find]
where = ["src"]

[tool.setuptools.package-data]
fpembed = ["py.typed"]

[tool.pytest.ini_options]
markers = [
    "fast: marks tests as fast (< 5 seconds)",
    "slow: marks tests as slow (property-based, 5-60 seconds)",
]