easyblock = 'MakeCp'

name = 'Multiwfn'
version = '3.4.1'

homepage = 'http://sobereva.com/multiwfn/'
description = "A multifunctional wavefunction analyzer"

toolchain = {'name': 'intel', 'version': '2017b'}

source_urls = ['http://sobereva.com/multiwfn/misc/']
sources = ['%(name)s_%(version)s_src_Linux.zip']
checksums = ['07141333f59a4bb3e3855a0c6c2ac61ae0aa9009bd40b375848ea2b641d4ab8f']

# Make sure the noGUI.sh script runs in bash.
prebuildopts = '/bin/bash noGUI.sh && cd noGUI && '

buildopts = 'OPT="-fopenmp" LIB="$LDFLAGS $LIBBLAS $LIBLAPACK" FC="$FC $FCFLAGS"'

files_to_copy = [(['noGUI/Multiwfn'], 'bin')]

sanity_check_paths = {
    'files': ['bin/Multiwfn'],
    'dirs': [],
}

moduleclass = 'chem'
