easyblock = 'MakeCp'

name = 'DFT-D3'
version = '3.1.1'

homepage = 'http://www.thch.uni-bonn.de/tc/index.php?section=downloads&subsection=DFT-D3&lang=english'
description = """DFT-D3 implements a dispersion correction for density functionals, Hartree-Fock and semi-empirical quantum chemical methods."""

toolchain = {'name': 'intel', 'version': '2015a'}

source_urls = ['http://www.thch.uni-bonn.de/tc/downloads/%(name)s/data']
# Note that the DFT-D3 tarball is named as "dftd3.tgz" with no version
# numbering. Also, the authors are prone (alas) to stealth upgrades, so that two
# tarballs with the same version number can have different checksums. For this
# reason, it is suggested to manually download and rename the tarball. The
# checksum may also need updating from time to time.
# Checksum last updated: 15 April 2016
# Date tarball was reported to have been modified: 11 January 2016
sources = ['dftd3-%(version)s.tgz']
checksums = [('md5', 'c9d6a92c43bb2ba71ad75f388fdce216')]

files_to_copy = [(['dftd3'], 'bin'), (['man.pdf'], 'doc')]

sanity_check_paths = {
    'files': ['bin/dftd3'],
    'dirs': [],
}

moduleclass = 'chem'
