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# Copyright 2013-2018 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 *
import numbers
import os
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/releases/download/v17.0/Nek5000-v17.0.tar.gz"
git = "https://github.com/Nek5000/Nek5000.git"
tags = ['cfd', 'flow', 'hpc', 'solver', 'navier-stokes',
'spectral-elements', 'fluid', 'ecp', 'ecp-apps']
version('develop', branch='master')
version('17.0', '6a13bfad2ce023897010dd88f54a0a87')
# 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.')
# TODO: add a variant 'blas' or 'external-blas' to enable the usage of
# Spack installed/configured blas.
# 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('libx11', when="+prenek")
depends_on('libx11', when="+postnek")
# libxt is needed for X11/Intrinsic.h but not for linking
depends_on('libxt', when="+prenek")
depends_on('xproto', when="+prenek")
depends_on('libxt', when="+postnek")
depends_on('visit', when="+visit")
@run_before('install')
def fortran_check(self):
if not self.compiler.f77:
msg = 'Cannot build Nek5000 without a Fortran 77 compiler.'
raise RuntimeError(msg)
@run_after('install')
def test_install(self):
with working_dir('short_tests/eddy'):
os.system(join_path(self.prefix.bin, 'makenek') + ' eddy_uv')
if not os.path.isfile(join_path(os.getcwd(), 'nek5000')):
msg = 'Cannot build example: short_tests/eddy.'
raise RuntimeError(msg)
def install(self, spec, prefix):
tools_dir = 'tools'
bin_dir = 'bin'
# Do not use the Spack compiler wrappers.
# Use directly the compilers:
fc = self.compiler.f77
cc = self.compiler.cc
fflags = spec.compiler_flags['fflags']
cflags = spec.compiler_flags['cflags']
if ('+prenek' in spec) or ('+postnek' in spec):
libx11_h = find_headers('Xlib', spec['libx11'].prefix.include,
recursive=True)
if not libx11_h:
raise RuntimeError('Xlib.h not found in %s' %
spec['libx11'].prefix.include)
cflags += ['-I%s' % os.path.dirname(libx11_h.directories[0])]
xproto_h = find_headers('X', spec['xproto'].prefix.include,
recursive=True)
if not xproto_h:
raise RuntimeError('X.h not found in %s' %
spec['xproto'].prefix.include)
cflags += ['-I%s' % os.path.dirname(xproto_h.directories[0])]
libxt_h = find_headers('Intrinsic', spec['libxt'].prefix.include,
recursive=True)
if not libxt_h:
raise RuntimeError('X11/Intrinsic.h not found in %s' %
spec['libxt'].prefix.include)
cflags += ['-I%s' % os.path.dirname(libxt_h.directories[0])]
if self.compiler.name in ['xl', 'xl_r']:
# Use '-qextname' to add underscores.
# Use '-WF,-qnotrigraph' to fix an error about a string: '... ??'
fflags += ['-qextname', '-WF,-qnotrigraph']
fflags = ' '.join(fflags)
cflags = ' '.join(cflags)
# Build the tools, maketools copy them to Nek5000/bin by default.
# We will then install Nek5000/bin under prefix after that.
with working_dir(tools_dir):
# Update the maketools script to use correct compilers
filter_file(r'^#FC\s*=.*', 'FC="{0}"'.format(fc), 'maketools')
filter_file(r'^#CC\s*=.*', 'CC="{0}"'.format(cc), 'maketools')
if fflags:
filter_file(r'^#FFLAGS=.*', 'FFLAGS="{0}"'.format(fflags),
'maketools')
if cflags:
filter_file(r'^#CFLAGS=.*', 'CFLAGS="{0}"'.format(cflags),
'maketools')
if self.compiler.name in ['xl', 'xl_r']:
# Patch 'maketools' to use '-qextname' when checking for
# underscore becasue 'xl'/'xl_r' use this option to enable the
# addition of the underscore.
filter_file(r'^\$FC -c ', '$FC -qextname -c ', 'maketools')
libx11_lib = find_libraries('libX11', spec['libx11'].prefix.lib,
shared=True, recursive=True)
if not libx11_lib:
libx11_lib = \
find_libraries('libX11', spec['libx11'].prefix.lib64,
shared=True, recursive=True)
if not libx11_lib:
raise RuntimeError('libX11 not found in %s/{lib,lib64}' %
spec['libx11'].prefix)
# There is no other way to set the X11 library path except brute
# force:
filter_file(r'-L\$\(X\)', libx11_lib.search_flags,
join_path('prenek', 'makefile'))
filter_file(r'-L\$\(X\)', libx11_lib.search_flags,
join_path('postnek', 'makefile'))
if self.compiler.name in ['xl', 'xl_r']:
# Use '-qextname' when compiling mxm.f
filter_file('\$\(OLAGS\)', '-qextname $(OLAGS)',
join_path('postnek', 'makefile'))
# Define 'rename_' function that calls 'rename'
with open(join_path('postnek', 'xdriver.c'), 'a') as xdriver:
xdriver.write('\nvoid rename_(char *from, char *to)\n{\n'
' rename(from, to);\n}\n')
maxnel = self.spec.variants['MAXNEL'].value
filter_file(r'^#MAXNEL\s*=.*', 'MAXNEL=' + maxnel, 'maketools')
maketools = Executable('./maketools')
# Build the tools
if '+genbox' in spec:
maketools('genbox')
# "ERROR: int_tp does not exist!"
# if '+int_tp' in spec:
# maketools('int_tp')
if '+n2to3' in spec:
maketools('n2to3')
if '+postnek' in spec:
maketools('postnek')
if '+reatore2' in spec:
maketools('reatore2')
if '+genmap' in spec:
maketools('genmap')
if '+nekmerge' in spec:
maketools('nekmerge')
if '+prenek' in spec:
maketools('prenek')
with working_dir(bin_dir):
if '+mpi' in spec:
fc = spec['mpi'].mpif77
cc = spec['mpi'].mpicc
else:
filter_file(r'^#MPI=0', 'MPI=0', 'makenek')
if '+profiling' not in spec:
filter_file(r'^#PROFILING=0', 'PROFILING=0', 'makenek')
if '+visit' in spec:
filter_file(r'^#VISIT=1', 'VISIT=1', 'makenek')
filter_file(r'^#VISIT_INSTALL=.*', 'VISIT_INSTALL=\"' +
spec['visit'].prefix.bin + '\"', 'makenek')
# Update the makenek to use correct compilers and
# Nek5000 source.
filter_file(r'^#FC\s*=.*', 'FC="{0}"'.format(fc), 'makenek')
filter_file(r'^#CC\s*=.*', 'CC="{0}"'.format(cc), 'makenek')
filter_file(r'^#SOURCE_ROOT\s*=\"\$H.*', 'SOURCE_ROOT=\"' +
prefix.bin.Nek5000 + '\"', 'makenek')
if fflags:
filter_file(r'^#FFLAGS=.*', 'FFLAGS="{0}"'.format(fflags),
'makenek')
if cflags:
filter_file(r'^#CFLAGS=.*', 'CFLAGS="{0}"'.format(cflags),
'makenek')
with working_dir('core'):
if self.compiler.name in ['xl', 'xl_r']:
# Patch 'core/makenek.inc' and 'makefile.template' to use
# '-qextname' when checking for underscore becasue 'xl'/'xl_r'
# use this option to enable the addition of the underscore.
filter_file(r'^\$FCcomp -c ', '$FCcomp -qextname -c ',
'makenek.inc')
filter_file(r'\$\(FC\) -c \$\(L0\)',
'$(FC) -c -qextname $(L0)', 'makefile.template')
# Install Nek5000/bin in prefix/bin
install_tree(bin_dir, prefix.bin)
# Copy Nek5000 source to prefix/bin
install_tree('../Nek5000', prefix.bin.Nek5000)
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