# Copyright 2013-2020 Lawrence Livermore National Security, LLC and other # Spack Project Developers. See the top-level COPYRIGHT file for details. # # SPDX-License-Identifier: (Apache-2.0 OR MIT) from spack import * class VotcaXtp(CMakePackage): """Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package intended to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. This package contains the VOTCA exciton transport engine. """ homepage = "http://www.votca.org" url = "https://github.com/votca/xtp/tarball/v1.4.1" git = "https://github.com/votca/xtp.git" maintainers = ['junghans'] version('master', branch='master') version('stable', branch='stable') version('1.6', sha256='695c2d9d3f924103481529f992e3723bdce10b8edfc294421a849cdf51dbbb6e') version('1.5.1', sha256='17a7722e5a32d236e4f1f6f88b680da4ba5f52bcf65bca3687c6a1c731d10881') version('1.5', sha256='b40b6d19e13f0650e84b8beebe86ce5c09071624f18d66df826f9d8584b4d3c8') version('1.4.1', sha256='4b53d371d6cf648c9e9e9bd1f104d349cafeaf10a02866e3f1d05c574b595a21') depends_on("cmake@2.8:", type='build') for v in ["1.4.1", "1.5", "1.5.1", "1.6", "master", "stable"]: depends_on('votca-tools@%s' % v, when="@%s:%s.0" % (v, v)) depends_on('votca-csg@%s' % v, when="@%s:%s.0" % (v, v)) depends_on("libxc", when='@stable,1.5:') depends_on("ceres-solver", when='@1.5:1.5.9999') depends_on("hdf5+cxx~mpi")