easyblock = 'ConfigureMake'

name = 'MRCC'
version = '2023.08'
homepage = 'https://www.mrcc.hu/'
description = """MRCC is a software package for ab initio calculations of molecular electronic structure."""
toolchain = {'name': 'intel', 'version': '2021b'}

source_urls = ['https://www.mrcc.hu/downloads/']
sources = ['mrcc-2023-08.tar.gz']

dependencies = []

sanity_check_paths = {
    'files': ['bin/mrcc', 'README.md'],
    'dirs': ['lib', 'include'],
}

moduleclass = 'chem'

sanity_check_commands = [
    'bin/mrcc --version',
    'bin/mrcc <inputfile>'
]

docurls = [
    'https://www.mrcc.hu/index.php/getting-started/installation'
]

prebuildopts = 'export LICENSE_SERVER=<your-license-server> && '

postinstallcmds = [
    'echo "MRCC installed successfully. Please ensure you have the appropriate license."'
]