easyblock = 'Tarball'

name = 'ADF'
version = '2014.02'

homepage = 'http://www.scm.com/ADF/'
description = """ADF is an accurate, parallelized, powerful local_computational chemistry program to understand and
 predict chemical structure and reactivity with density functional theory (DFT)."""

toolchain = SYSTEM

sources = ['%(namelower)s%(version)s.pc64_linux.IntelMPI+CUDA.tgz']

keepsymlinks = True

sanity_check_paths = {
    'files': [],
    'dirs': ['atomicdata', 'bin', 'examples'],
}

modextravars = {
    'ADFHOME': '%(installdir)s',
    'ADFBIN': '%(installdir)s/bin',
    'ADFRESOURCES': '%(installdir)s/atomicdata',
}

modloadmsg = "These environment variables need to be defined before using ADF:\n"
modloadmsg += "  * $SCMLICENSE: path to ADF license file\n"
modloadmsg += "  * $SCM_TMPDIR: path to user scratch directory"

moduleclass = 'chem'
