# IT4Innovations 2018

name = 'Amber'
version = '18'
ambertools_ver = '18'
# Patch levels from http://ambermd.org/bugfixes16.html and http://ambermd.org/bugfixesat.html
# patchlevels = (5, 14)  # (AmberTools, Amber)
versionsuffix = '-AmberTools-%s-serial' % (ambertools_ver)

homepage = 'http://ambermd.org/amber.html'
description = """Amber (originally Assisted Model Building with Energy
 Refinement) is software for performing molecular dynamics and structure
 prediction."""

toolchain = {'name': 'iomkl', 'version': '2017b'}
toolchainopts = {'usempi': False}

sources = [
    'Amber%(version)s.tar.bz2',
    'AmberTools%s.tar.bz2' % ambertools_ver,
]

#patches = ['Amber-%(version)s_fix-hardcoding.patch']

dependencies = [
    ('netCDF', '4.6.1'),
    ('netCDF-Fortran', '4.4.4'),
    ('Py', '2.7', '', True),
]

moduleclass = 'chem'
