From 9a595ca312ff7cfdf397903614a828e8468343d7 Mon Sep 17 00:00:00 2001 From: Thilina Rathnayake Date: Thu, 4 Jan 2018 09:41:53 -0600 Subject: Adding Nek5000 to Spack (#6153) * Start adding Nek5000 package * Add tools to install: genmap, prenek, postnek * Address comments by @davydden * Use install_tree (thanks @junghans) and polish * Update url * Fix flake formatting errors * Change F77 and CC compilers Apparently spack compilers can't be called outside spack and we have an underscore test in our Nek5000/core/makenek.inc file which calls F77 compiler. * Add support for visit and profiling options * Fix a typo * Fix a typo * Remove the C check * Add visit variant * Update the install of int_tp tool * Let MAXNEL to be set during installation --- .../repos/builtin/packages/nek5000/package.py | 153 +++++++++++++++++++++ .../repos/builtin/packages/nekbone/package.py | 1 + 2 files changed, 154 insertions(+) create mode 100644 var/spack/repos/builtin/packages/nek5000/package.py (limited to 'var') diff --git a/var/spack/repos/builtin/packages/nek5000/package.py b/var/spack/repos/builtin/packages/nek5000/package.py new file mode 100644 index 0000000000..4755d28575 --- /dev/null +++ b/var/spack/repos/builtin/packages/nek5000/package.py @@ -0,0 +1,153 @@ +############################################################################## +# Copyright (c) 2013-2017, 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/spack/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 * + +import numbers + + +def is_integral(x): + """Any integer value""" + try: + return isinstance(int(x), numbers.Integral) and \ + not isinstance(x, bool) and int(x) > 0 + except ValueError: + return False + + +class Nek5000(Package): + """A fast and scalable high-order solver for computational fluid + dynamics""" + + homepage = "https://nek5000.mcs.anl.gov/" + url = "https://github.com/Nek5000/Nek5000" + + tags = ['cfd', 'flow', 'hpc', 'solver', 'navier-stokes', + 'spectral-elements', 'fluid'] + + version('17.0.0-beta2', git='https://github.com/Nek5000/Nek5000.git', + commit='b95f46c59f017fff2fc19b66aa65a881085a7572') + version('develop', git='https://github.com/Nek5000/Nek5000.git', + branch='master') + + # MPI, Profiling and Visit variants + variant('mpi', default=True, description='Build with MPI.') + variant('profiling', default=True, description='Build with profiling data.') + variant('visit', default=False, description='Build with Visit.') + + # Variant for MAXNEL, we need to read this from user + variant( + 'MAXNEL', + default=150000, + description='Maximum number of elements for Nek5000 tools.', + values=is_integral + ) + + # Variants for Nek tools + variant('genbox', default=True, description='Build genbox tool.') + variant('int_tp', default=True, description='Build int_tp tool.') + variant('n2to3', default=True, description='Build n2to3 tool.') + variant('postnek', default=True, description='Build postnek tool.') + variant('reatore2', default=True, description='Build reatore2 tool.') + variant('genmap', default=True, description='Build genmap tool.') + variant('nekmerge', default=True, description='Build nekmerge tool.') + variant('prenek', default=True, description='Build prenek tool.') + + # Dependencies + depends_on('mpi', when="+mpi") + depends_on('visit', when="+visit") + + @run_before('install') + def fortran_check(self): + if not self.compiler.fc: + msg = 'Cannot build Nek5000 without a Fortran compiler.' + raise RuntimeError(msg) + + def install(self, spec, prefix): + toolsDir = 'tools' + binDir = 'bin' + + F77 = self.compiler.fc + CC = self.compiler.cc + + # Build the tools, maketools copy them to Nek5000/bin by default. + # We will then install Nek5000/bin under prefix after that. + with working_dir(toolsDir): + # Update the maketools script to use correct compilers + if self.version == Version('17.0.0-beta2'): # Old release + filter_file(r'^F77\s*=.*', 'F77=\"' + F77 + '\"', 'maketools') + else: + filter_file(r'^FC\s*=.*', 'FC=\"' + F77 + '\"', 'maketools') + filter_file(r'^CC\s*=.*', 'CC=\"' + CC + '\"', 'maketools') + + maxnel = self.spec.variants['MAXNEL'].value + filter_file(r'^#MAXNEL\s*=.*', 'MAXNEL=' + maxnel, 'maketools') + + makeTools = Executable('./maketools') + + # Build the tools + if '+genbox' in spec: + makeTools('genbox') + if '+int_tp' in spec and self.version == Version('17.0.0-beta2'): + makeTools('int_tp') + if '+n2to3' in spec: + makeTools('n2to3') + if '+postnek' in spec: + makeTools('postnek') + if '+reatore2' in spec: + makeTools('reatore2') + if '+genmap' in spec: + makeTools('genmap') + if '+nekmerge' in spec: + makeTools('nekmerge') + if '+prenek' in spec: + makeTools('prenek') + + with working_dir(binDir): + if '+mpi' in spec: + F77 = spec['mpi'].mpif77 + CC = spec['mpi'].mpicc + else: + filter_file(r'^#MPI=0', 'MPI=0', 'makenek') + + if '+profiling' not in spec: + filter_file(r'^#PROFILING=0', 'PROFILING=0', 'makenek') + + if '+visit' in spec: + filter_file(r'^#VISIT=1', 'VISIT=1', 'makenek') + filter_file(r'^#VISIT_INSTALL=.*', 'VISIT_INSTALL=\"' + + spec['visit'].prefix.bin + '\"', 'makenek') + + # Update the makenek to use correct compilers and + # Nek5000 source. + filter_file(r'^F77\s*=.*', 'F77=\"' + F77 + '\"', 'makenek') + filter_file(r'^CC\s*=.*', 'CC=\"' + CC + '\"', 'makenek') + filter_file(r'SOURCE_ROOT\s*=\"\$H.*', 'SOURCE_ROOT=\"' + + prefix.bin.Nek5000 + '\"', 'makenek') + + # Install Nek5000/bin in prefix/bin + install_tree(binDir, prefix.bin) + + # Copy Nek5000 source to prefix/bin + install_tree('../Nek5000', prefix.bin.Nek5000) diff --git a/var/spack/repos/builtin/packages/nekbone/package.py b/var/spack/repos/builtin/packages/nekbone/package.py index 4531012110..053b80413d 100644 --- a/var/spack/repos/builtin/packages/nekbone/package.py +++ b/var/spack/repos/builtin/packages/nekbone/package.py @@ -32,6 +32,7 @@ class Nekbone(Package): the spectral element method.""" homepage = "https://github.com/Nek5000/Nekbone" + url = "https://github.com/Nek5000/Nekbone/tarball/v17.0" tags = ['proxy-app', 'ecp-proxy-app'] -- cgit v1.2.3-60-g2f50