dpeva/pyproject.toml at main · QuantumMisaka/dpeva · 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
[build-system]
requires = ["setuptools>=45", "wheel"]
build-backend = "setuptools.build_meta"

[project]
name = "dpeva"
dynamic = ["version"]
description = "Deep Potential EVolution Accelerator (DP-EVA)"
readme = "README.md"
authors = [
    { name = "James Misaka", email = "ff6757442@gmail.com" }
]
license = { file = "LICENCE" }
classifiers = [
    "Natural Language :: English",
    "Operating System :: POSIX :: Linux",
    "Programming Language :: Python :: 3 :: Only",
    "Intended Audience :: Science/Research",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
    "Topic :: Scientific/Engineering :: Artificial Intelligence",
    "Topic :: Scientific/Engineering :: Physics",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Environment :: Console",
]
dependencies = [
    "numpy>=1.20.0",
    "scipy>=1.7.0",
    "scikit-learn>=1.0.0",
    "dpdata>=1.0.0",
    "matplotlib>=3.5.0",
    "seaborn>=0.11.0",
    "pydantic>=2.0.0",
    "ase>=3.22.1",
]
requires-python = ">=3.10"

[project.optional-dependencies]
dev = [
    "pytest>=7.0",
    "pytest-cov>=4.0",
    "black>=22.0",
    "ruff>=0.1.0",
    "mypy>=1.0",
]
docs = [
    "sphinx>=5.0",
    "sphinx-book-theme",
    "myst-parser",
    "autodoc-pydantic",
    "sphinxcontrib-mermaid",
]

[project.urls]
Homepage = "https://github.com/QuantumMisaka/dpeva"

[project.scripts]
dpeva = "dpeva.cli:main"

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

[tool.setuptools.dynamic]
version = {attr = "dpeva.__version__"}