aenet-python/pyproject.toml at master · KMdraijer/aenet-python · 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
[build-system]
requires = ["setuptools>=61.0", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "aenet"
dynamic = ["version"]
description = "Python interface for the aenet package"
readme = "README.md"
authors = [
    {name = "The aenet Development Team", email = "aenet@atomistic.net"}
]
license = {text = "MPL-2.0"}
keywords = ["materials science", "machine learning"]
classifiers = [
    "Development Status :: 3 - Alpha",
    "Intended Audience :: Science/Research",
    "Topic :: Scientific/Engineering :: Physics",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Artificial Intelligence",
    "License :: OSI Approved :: Mozilla Public License 2.0 (MPL 2.0)",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.8",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
]
requires-python = ">=3.8"
dependencies = [
    "numpy>=1.20.1",
    "scipy>=1.6.2",
    "pandas>=1.2.4",
    "tables>=3.6.1",
    "tqdm>=4.62.3",
    "matplotlib>=3.3.4",
]

[project.urls]
Homepage = "http://ann.atomistic.net/"
Documentation = "https://aenet-python.readthedocs.io/en/latest/"
Repository = "https://github.com/atomisticnet/aenet-python"

[project.scripts]
aenet = "aenet.commandline.tools:main"

[tool.setuptools]
package-dir = {"" = "src"}

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

[tool.setuptools.dynamic]
version = {file = "src/aenet/VERSION"}

[tool.setuptools.package-data]
aenet = [
    "VERSION",
    "data/*.json"
]