From 4dbeb3563b30a47d805c2202046cac80713e2ae5 Mon Sep 17 00:00:00 2001 From: Roberto Di Remigio Date: Sat, 29 Feb 2020 14:41:02 +0100 Subject: MRCPP: New package. (#15201) --- var/spack/repos/builtin/packages/mrcpp/package.py | 46 +++++++++++++++++++++++ 1 file changed, 46 insertions(+) create mode 100644 var/spack/repos/builtin/packages/mrcpp/package.py diff --git a/var/spack/repos/builtin/packages/mrcpp/package.py b/var/spack/repos/builtin/packages/mrcpp/package.py new file mode 100644 index 0000000000..558b145a71 --- /dev/null +++ b/var/spack/repos/builtin/packages/mrcpp/package.py @@ -0,0 +1,46 @@ +# 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 Mrcpp(CMakePackage): + """The MultiResolution Computation Program Package (MRCPP) is a general purpose + numerical mathematics library based on multiresolution analysis and the + multiwavelet basis which provide low-scaling algorithms as well as rigorous + error control in numerical computations.""" + + homepage = "https://mrcpp.readthedocs.io/en/latest/" + url = "https://github.com/MRChemSoft/mrcpp/archive/v1.1.0.tar.gz" + + maintainers = ["robertodr", "stigrj", "ilfreddy"] + + version('1.2.0-alpha2', + sha256='8f4df594751a5b7e76b09a62450c6c4956b1974876afa143cc9b5703156ccd40') + version('1.1.0', + sha256='e9ffb87eccbd45305f822a0b46b875788b70386b3c1d38add6540dc4e0327ab2', + preferred=True) + version('1.0.2', + sha256='d2b26f7d7b16fa67f16788119abc0f6c7562cb37ece9ba075c116463dcf19df3') + version('1.0.1', + sha256='b4d7120545da3531bc7aa0a4cb4eb579fdbe1f8e5d32b1fd1086976583e3e27c') + version('1.0.0', + sha256='0858146141d3a60232e8874380390f9e9fa0b1bd6e67099d5833704478213efd') + + variant("openmp", default=True, description="Enable OpenMP support.") + + variant("mpi", default=True, description="Enable MPI support") + depends_on("mpi", when="+mpi") + + depends_on("cmake@3.11:", type="build") + depends_on("eigen") + + def cmake_args(self): + args = [ + "-DENABLE_OPENMP={0}".format("ON" if "+openmp" in + self.spec else "OFF"), + "-DENABLE_MPI={0}".format("ON" if "+mpi" in self.spec else "OFF"), + ] + return args -- cgit v1.2.3-60-g2f50