mlip.cpp/pyproject.toml at main · peterspackman/mlip.cpp · 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
[build-system]
requires = ["scikit-build-core >=0.4.3", "nanobind >=2.0.0"]
build-backend = "scikit_build_core.build"

[project]
name = "mlipcpp"
version = "0.1.0"
description = "Fast C++ implementation of Machine Learning Interatomic Potentials"
readme = "README.md"
requires-python = ">=3.10"
authors = [
    { name = "Peter Spackman", email = "peterspackman@fastmail.com" },
]
classifiers = [
    "License :: OSI Approved :: MIT License",
    "Programming Language :: Python :: 3",
    "Programming Language :: C++",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Topic :: Scientific/Engineering :: Physics",
]
dependencies = ["numpy >=1.24.0"]

[project.optional-dependencies]
ase = ["ase >=3.22.0"]
test = ["pytest", "ase >=3.22.0"]

[project.urls]
Homepage = "https://github.com/peterspackman/mlipcpp"

[tool.scikit-build]
minimum-version = "0.4"
build-dir = "build-{wheel_tag}"
wheel.py-api = "cp312"
cmake.targets = ["_mlipcpp"]

[tool.scikit-build.cmake.define]
MLIPCPP_BUILD_PYTHON = "ON"
MLIPCPP_BUILD_EXAMPLES = "OFF"
MLIPCPP_BUILD_TESTS = "OFF"

[tool.cibuildwheel]
build-verbosity = 1
skip = ["cp38-*", "cp39-*", "pp*", "*musllinux*"]
archs = ["auto64"]

[tool.cibuildwheel.macos.environment]
MACOSX_DEPLOYMENT_TARGET = "11.0"