easyblock = 'PackedBinary'

name = 'deMonNano'
version = '4.3.6'

homepage = 'http://www.demon-software.com'
description = """deMonNano is a software package for density functional theory based tight binding calculations.
It is part of the deMon (density of Montréal) suite of programs. The present version of the code of deMon for
DFT is now known as deMon2k. This code and general information about deMon are available at http://www.demon-software.com
"""

toolchain = {'name': 'system', 'version': ''}

source_urls = ['http://demon-nano.ups-tlse.fr/']
sources = ['%(name)s.tar.gz']

postinstallcmds = [
    'mkdir %(installdir)s/bin',
    'mv %(installdir)s/deMon.static-website.x %(installdir)s/bin',
    'sed -i "s|type here the path to your \\\"basis\\\" directory|%(installdir)s/basis|" %(installdir)s/deMon.inp',
]

sanity_check_paths = {
    'files': ['bin/deMon.static-website.x'],
    'dirs': ['basis'],
}

modluafooter = 'execute {cmd=\'echo "Please, copy deMon.inp from $EBROOTDEMONNANO to your folder before execute \\\`deMon.static-website.x\\\` ( cp \\\$EBROOTDEMONNANO/deMon.inp . )"\',modeA={\'load\'}}'

moduleclass = 'cae'
