name = 'ADF' version = '2014.11.r48287' homepage = 'http://www.scm.com/ADF/' description = """ADF is an accurate, parallelized, powerful computational chemistry program to understand and predict chemical structure and reactivity with density functional theory (DFT).""" toolchain = {'name': 'intel', 'version': '2016a'} sources = [ '%(namelower)s%(version)s.src.tgz', # no exact match on revision ID available, but not strictly needed 'fix2014.pc64_linux.intelmpi.r48660.2.555.bin.tgz', ] license_file = HOME + "/licenses/ADF/license.txt" 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'