# IT4Innovations 2019

easyblock = 'MakeCp'

name = 'SPRKKR'
version = '7.7.2'

homepage = 'http://olymp.cup.uni-muenchen.de/index.php?option=com_content&view=article&id=8&catid=4&Itemid=7&lang=en'
description = """The SPRKKR band structure package allows to calculate the electronic
 structure of arbitrary 3-D periodic systems, including systems with chemical disorder."""

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

sources = ['SPRKKR7_7_2.zip']

patches = ['SPRKKR-7.7.2-intel-2017c.patch']

dependencies = [
        ('git', '2.21.0', '', True),
        ('dos2unix', '7.4.0', '', True),
]

prebuildopts = "dos2unix gitstamp.sh && chmod +x gitstamp.sh && mkdir bin && "

buildopts = "allmpi"

maxparallel = 1

files_to_copy = ["bin"]

sanity_check_paths = {
    'files': ['bin/embgen7.7.2MPI', 'bin/kkrchi7.7.2MPI'],
    'dirs': []
}

moduleclass = 'phys'