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
This commit is contained in:
Thilina Rathnayake
Adam J. Stewart
parent
d62555875a
commit
9a595ca312
153
var/spack/repos/builtin/packages/nek5000/package.py
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153
var/spack/repos/builtin/packages/nek5000/package.py
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##############################################################################
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# Copyright (c) 2013-2017, Lawrence Livermore National Security, LLC.
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# Produced at the Lawrence Livermore National Laboratory.
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#
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# This file is part of Spack.
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# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
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# LLNL-CODE-647188
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#
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# For details, see https://github.com/spack/spack
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# Please also see the NOTICE and LICENSE files for our notice and the LGPL.
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#
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# This program is free software; you can redistribute it and/or modify
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# it under the terms of the GNU Lesser General Public License (as
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# published by the Free Software Foundation) version 2.1, February 1999.
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#
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# This program is distributed in the hope that it will be useful, but
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# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
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# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
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# conditions of the GNU Lesser General Public License for more details.
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#
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# You should have received a copy of the GNU Lesser General Public
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# License along with this program; if not, write to the Free Software
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# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
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##############################################################################
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from spack import *
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import numbers
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def is_integral(x):
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"""Any integer value"""
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try:
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return isinstance(int(x), numbers.Integral) and \
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not isinstance(x, bool) and int(x) > 0
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except ValueError:
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return False
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class Nek5000(Package):
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"""A fast and scalable high-order solver for computational fluid
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dynamics"""
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homepage = "https://nek5000.mcs.anl.gov/"
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url = "https://github.com/Nek5000/Nek5000"
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tags = ['cfd', 'flow', 'hpc', 'solver', 'navier-stokes',
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'spectral-elements', 'fluid']
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version('17.0.0-beta2', git='https://github.com/Nek5000/Nek5000.git',
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commit='b95f46c59f017fff2fc19b66aa65a881085a7572')
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version('develop', git='https://github.com/Nek5000/Nek5000.git',
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branch='master')
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# MPI, Profiling and Visit variants
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variant('mpi', default=True, description='Build with MPI.')
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variant('profiling', default=True, description='Build with profiling data.')
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variant('visit', default=False, description='Build with Visit.')
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# Variant for MAXNEL, we need to read this from user
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variant(
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'MAXNEL',
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default=150000,
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description='Maximum number of elements for Nek5000 tools.',
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values=is_integral
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)
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# Variants for Nek tools
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variant('genbox', default=True, description='Build genbox tool.')
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variant('int_tp', default=True, description='Build int_tp tool.')
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variant('n2to3', default=True, description='Build n2to3 tool.')
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variant('postnek', default=True, description='Build postnek tool.')
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variant('reatore2', default=True, description='Build reatore2 tool.')
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variant('genmap', default=True, description='Build genmap tool.')
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variant('nekmerge', default=True, description='Build nekmerge tool.')
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variant('prenek', default=True, description='Build prenek tool.')
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# Dependencies
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depends_on('mpi', when="+mpi")
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depends_on('visit', when="+visit")
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@run_before('install')
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def fortran_check(self):
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if not self.compiler.fc:
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msg = 'Cannot build Nek5000 without a Fortran compiler.'
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raise RuntimeError(msg)
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def install(self, spec, prefix):
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toolsDir = 'tools'
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binDir = 'bin'
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F77 = self.compiler.fc
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CC = self.compiler.cc
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# Build the tools, maketools copy them to Nek5000/bin by default.
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# We will then install Nek5000/bin under prefix after that.
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with working_dir(toolsDir):
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# Update the maketools script to use correct compilers
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if self.version == Version('17.0.0-beta2'): # Old release
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filter_file(r'^F77\s*=.*', 'F77=\"' + F77 + '\"', 'maketools')
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else:
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filter_file(r'^FC\s*=.*', 'FC=\"' + F77 + '\"', 'maketools')
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filter_file(r'^CC\s*=.*', 'CC=\"' + CC + '\"', 'maketools')
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maxnel = self.spec.variants['MAXNEL'].value
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filter_file(r'^#MAXNEL\s*=.*', 'MAXNEL=' + maxnel, 'maketools')
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makeTools = Executable('./maketools')
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# Build the tools
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if '+genbox' in spec:
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makeTools('genbox')
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if '+int_tp' in spec and self.version == Version('17.0.0-beta2'):
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makeTools('int_tp')
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if '+n2to3' in spec:
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makeTools('n2to3')
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if '+postnek' in spec:
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makeTools('postnek')
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if '+reatore2' in spec:
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makeTools('reatore2')
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if '+genmap' in spec:
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makeTools('genmap')
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if '+nekmerge' in spec:
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makeTools('nekmerge')
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if '+prenek' in spec:
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makeTools('prenek')
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with working_dir(binDir):
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if '+mpi' in spec:
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F77 = spec['mpi'].mpif77
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CC = spec['mpi'].mpicc
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else:
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filter_file(r'^#MPI=0', 'MPI=0', 'makenek')
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if '+profiling' not in spec:
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filter_file(r'^#PROFILING=0', 'PROFILING=0', 'makenek')
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if '+visit' in spec:
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filter_file(r'^#VISIT=1', 'VISIT=1', 'makenek')
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filter_file(r'^#VISIT_INSTALL=.*', 'VISIT_INSTALL=\"' +
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spec['visit'].prefix.bin + '\"', 'makenek')
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# Update the makenek to use correct compilers and
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# Nek5000 source.
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filter_file(r'^F77\s*=.*', 'F77=\"' + F77 + '\"', 'makenek')
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filter_file(r'^CC\s*=.*', 'CC=\"' + CC + '\"', 'makenek')
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filter_file(r'SOURCE_ROOT\s*=\"\$H.*', 'SOURCE_ROOT=\"' +
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prefix.bin.Nek5000 + '\"', 'makenek')
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# Install Nek5000/bin in prefix/bin
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install_tree(binDir, prefix.bin)
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# Copy Nek5000 source to prefix/bin
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install_tree('../Nek5000', prefix.bin.Nek5000)
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@ -32,6 +32,7 @@ class Nekbone(Package):
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the spectral element method."""
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homepage = "https://github.com/Nek5000/Nekbone"
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url = "https://github.com/Nek5000/Nekbone/tarball/v17.0"
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tags = ['proxy-app', 'ecp-proxy-app']
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