# IT4Innovations 2024
# BS
# LK 2024 edit

easyblock = 'CMakeMake'

name = 'Serenity'
version = '1.6.0'

homepage = 'https://github.com/qcserenity/serenity'
description = """Serenity is a quantum chemistry code originally developed in the group of Johannes Neugebauer at the University of Münster."""

toolchain = {'name': 'foss', 'version': '2022a'}

source_urls = ['https://github.com/qcserenity/serenity/archive/refs/tags/']
sources = ['%(version)s.tar.gz']
checksums = ['fd86b891d1c19f3341043329a032457a19e01bafca7022674de7559d4928c665']

dependencies = [
    ('CMake', '3.24.3'),
    ('Boost', '1.79.0'),
    ('Eigen', '3.4.0'),
    ('HDF5', '1.12.2'),
    ('GMP', '6.2.1'),
]

sanity_check_paths = {
    'files': ['bin/serenity', 'lib/libserenity.a'],
    'dirs': ['bin', 'lib', 'include', 'lib64', 'share'],
}

moduleclass = 'chem'
