# IT4Innovations 2022
# JK

easyblock = 'CMakeMake'

name = 'tblite'
version = '0.2.1'

homepage = 'http://www.example.com'
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': 'intel', 'version': '2020b'}

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 = ['8b803f636685f862097952e7b5e6d0903f6c91b1534c5750664c7ab42a5d4c9a']

builddependencies = [
    ('CMake', '3.20.1'),
]

moduleclass = 'lib'
