pyproject.toml

[tool.poetry]
name = "abacus-magnetic"
version = "0.1.0"
description = "workflow toolkits for performing the crossing-test on predicting various magnetic properties by ABACUS and DeePSPIN machine learning model"
authors = ["huangyk@aisi.ac.cn"]
license = "MIT"
readme = "README.md"
packages = [{include = "AbacusMagnetic"}]

[tool.poetry.dependencies]
python = ">=3.10"
numpy = "*"
matplotlib = "*"
phonopy = "*"
pymatgen = "*"

[tool.poetry.scripts]
abacus-magnetic = "AbacusMagnetic.main:main"

[build-system]
requires = ["poetry-core>=1.0.0"]
build-backend = "poetry.core.masonry.api"