-
Notifications
You must be signed in to change notification settings - Fork 5
/
Copy pathpyproject.toml
94 lines (86 loc) · 2.2 KB
/
pyproject.toml
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 = ["mpi4py", "numpy", "executorlib", "setuptools", "versioneer[toml]==0.29"]
build-backend = "setuptools.build_meta"
[project]
name = "pylammpsmpi"
description = "Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook"
authors = [
{ name = "Jan Janssen", email = "[email protected]" },
]
readme = "README.md"
license = { file = "LICENSE" }
keywords = ["pyiron"]
requires-python = ">=3.9, <3.13"
classifiers = [
"Development Status :: 5 - Production/Stable",
"Topic :: Scientific/Engineering :: Physics",
"License :: OSI Approved :: BSD License",
"Intended Audience :: Science/Research",
"Operating System :: OS Independent",
"Programming Language :: Python :: 3.9",
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"Programming Language :: Python :: 3.12",
]
dependencies = [
"mpi4py==4.0.1",
"executorlib==0.4.2",
"numpy==1.26.4",
]
dynamic = ["version"]
[project.urls]
Homepage = "https://github.com/pyiron/pylammpsmpi"
Documentation = "https://github.com/pyiron/pylammpsmpi"
Repository = "https://github.com/pyiron/pylammpsmpi"
[project.optional-dependencies]
ase = [
"ase==3.24.0",
"scipy==1.15.2",
]
[tool.setuptools.packages.find]
include = ["pylammpsmpi*"]
[tool.setuptools.dynamic]
version = {attr = "pylammpsmpi.__version__"}
[tool.ruff]
exclude = [".ci_support", "docs", "notebooks", "setup.py", "_version.py"]
[tool.ruff.lint]
select = [
# pycodestyle
"E",
# Pyflakes
"F",
# pyupgrade
"UP",
# flake8-bugbear
"B",
# flake8-simplify
"SIM",
# isort
"I",
# flake8-comprehensions
"C4",
# eradicate
"ERA",
# pylint
"PL",
]
ignore = [
# ignore exception naming
"B904",
# ignore line-length violations
"E501",
# Too many arguments in function definition
"PLR0913",
# Magic value used in comparison
"PLR2004",
# Too many branches
"PLR0912",
# Too many statements
"PLR0915",
]
[tool.versioneer]
VCS = "git"
style = "pep440-pre"
versionfile_source = "pylammpsmpi/_version.py"
parentdir_prefix = "pylammpsmpi"
tag_prefix = "pylammpsmpi-"