name = 'NAMD'
version = '2.11'
versionsuffix = '-mpi'

homepage = 'http://www.ks.uiuc.edu/Research/namd/'
description = """NAMD is a parallel molecular dynamics code designed for high-performance simulation of
 large biomolecular systems."""

toolchain = {'name': 'intel', 'version': '2016a'}
toolchainopts = {'pic': True, 'usempi': True}

sources = ['NAMD_%(version)s_Source.tar.gz']

dependencies = [
    ('Tcl', '8.6.4'),
    ('FFTW', '3.3.4'),
]

runtest = False

charm_arch = 'mpi-linux-x86_64'

namd_cfg_opts = " --with-tcl --tcl-prefix $EBROOTTCL "

prebuildopts = 'echo "TCLLIB=-L\$(TCLDIR)/lib -ltcl8.6 -ldl -lpthread" >> Make.config && '

moduleclass = 'chem'
