# IT4Innovations
# PH 2024

easyblock = 'CMakeMake'

name = 'tblite'
version = '0.4.0'

homepage = 'https://github.com/tblite/tblite'
description = """This project is an effort to create a library implementation of the extended tight binding (xTB) Hamiltonian which can be shared between xtb and dftb+. The current state of this project should be considered as highly experimental."""

toolchain = {'name': 'foss', 'version': '2023a'}

import os
if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
    toolchainopts = {'optarch': 'march=core-avx2'}

source_urls = ['https://github.com/tblite/tblite/archive/refs/tags/']
sources = ['v%(version)s.tar.gz']
checksums = ['c4a67dfbe04827095fd7598183e076fa3017a5a475c4f90fd28e78992dc19ea7'] # tblite-0.4.0.tar.gz

builddependencies = [
    ('CMake', '3.26.3'),
]

moduleclass = 'lib'