pyproject.toml

[tool.poetry]
name = "structure2symmetry"
version = "0.0.1"
description = "A python package to extract symmetry information from structure files, including POSCAR, CIF, and other format supported by ase.io.read."
authors = ["Shibu Meher <shibumeher@iisc.ac.in>"]
license = "MIT"
readme = "README.md"

[tool.poetry.dependencies]
python = "^3.8"
click = "^8.1.7"
numpy = "^1.26.4"
spglib = "^2.3.1"
ase = "^3.22.1"


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

[tool.poetry.scripts]
struct2symm = 'structure2symmetry.symmetry:struct2symm'