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authorThilina Rathnayake <thilinarmtb@users.noreply.github.com>2018-01-04 09:41:53 -0600
committerAdam J. Stewart <ajstewart426@gmail.com>2018-01-04 09:41:53 -0600
commit9a595ca312ff7cfdf397903614a828e8468343d7 (patch)
treef4e32e17f4225a18b6fe4b8249841a3860a041a8
parentd62555875a9e7f4bc0b2f5ed5e07db91652a7087 (diff)
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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
-rw-r--r--var/spack/repos/builtin/packages/nek5000/package.py153
-rw-r--r--var/spack/repos/builtin/packages/nekbone/package.py1
2 files changed, 154 insertions, 0 deletions
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']