############################################################################## # Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC. # Produced at the Lawrence Livermore National Laboratory. # # This file is part of Spack. # Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved. # LLNL-CODE-647188 # # For details, see https://github.com/llnl/spack # Please also see the NOTICE and LICENSE files for our notice and the LGPL. # # This program is free software; you can redistribute it and/or modify # it under the terms of the GNU Lesser General Public License (as # published by the Free Software Foundation) version 2.1, February 1999. # # This program is distributed in the hope that it will be useful, but # WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and # conditions of the GNU Lesser General Public License for more details. # # You should have received a copy of the GNU Lesser General Public # License along with this program; if not, write to the Free Software # Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA ############################################################################## from spack import * class Relion(CMakePackage): """RELION (for REgularised LIkelihood OptimisatioN, pronounce rely-on) is a stand-alone computer program that employs an empirical Bayesian approach to refinement of (multiple) 3D reconstructions or 2D class averages in electron cryo-microscopy (cryo-EM).""" homepage = "http://http://www2.mrc-lmb.cam.ac.uk/relion" url = "https://github.com/3dem/relion/archive/2.0.3.tar.gz" version('2.0.3', 'c61be5ef00848806278b341f43893f5d') variant('gui', default=True, description="build the gui") variant('cuda', default=False, description="enable compute on gpu") variant('double', default=False, description="double precision (cpu) code") variant('double-gpu', default=False, description="double precision (gpu) code") depends_on('mpi') depends_on('fftw+float+double') depends_on('fltk', when='+gui') depends_on('cuda', when='+cuda') def cmake_args(self): args = [ '-DCMAKE_C_FLAGS=-g', '-DCMAKE_CXX_FLAGS=-g', '-DGUI=%s' % ('+gui' in self.spec), '-DDoublePrec_CPU=%s' % ('+double' in self.spec), '-DDoublePrec_GPU=%s' % ('+double-gpu' in self.spec), ] if '+cuda' in self.spec: args += [ '-DCUDA=on', '-DCUFFT=on', ] return args