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Diffstat (limited to 'var/spack/repos/builtin/packages/nek5000/package.py')
| -rw-r--r-- | var/spack/repos/builtin/packages/nek5000/package.py | 234 |
1 files changed, 234 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..a952029a86 --- /dev/null +++ b/var/spack/repos/builtin/packages/nek5000/package.py @@ -0,0 +1,234 @@ +# 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) |