# IT4Innovations 2020
# LK / JH 2020

easyblock = 'MakeCp'

name = 'Molden'
version = '6.3'

homepage = 'http://www.cmbi.ru.nl/molden/'
description = """Molden is a package for displaying Molecular Density from the
 Ab Initio packages GAMESS-UK, GAMESS-US and GAUSSIAN and the Semi-Empirical
 packages Mopac/Ampac"""

toolchain = {'name': 'intel', 'version': '2020a'}

source_urls = ['ftp://ftp.cmbi.umcn.nl/pub/molgraph/molden/']
sources = ['%(namelower)s%(version)s.tar.gz']
checksums = ['01b3018942397a07ad255cf1745675fc3be52096b71dc2d8b0ce71f1af09110b']

dependencies = [
    ('X11', '20200222'),
]

buildopts = 'CC="$CC" FC="$F90" molden'

files_to_copy = [(['molden'], 'bin'), 'CopyRight', 'README', 'REGISTER']

sanity_check_paths = {
    'files': ['bin/molden', 'README', 'REGISTER'],
    'dirs': [],
}

moduleclass = 'chem'
