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# Copyright 2013-2023 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)
import os
from shutil import copyfile
from spack.package import *
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/archive/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", sha256="4d8d4793ce3c926c54e09a5a5968fa959fe0ba46bd2e6b8043e099528ee35a60")
version("19.0", sha256="db129877a10ff568d49edc77cf65f9e732eecb1fce10edbd91ffc5ac10c41ad6")
# 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.
# Dependencies
depends_on("mpi", when="+mpi")
patch("add_fjfortran.patch", when="%fj")
@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 check_install(self):
with working_dir("short_tests/eddy"):
f_size = join_path(os.getcwd(), "SIZE")
f_size_legacy = join_path(os.getcwd(), "SIZE.legacy")
if not os.access(f_size, os.F_OK):
if os.access(f_size_legacy, os.F_OK):
copyfile(f_size_legacy, f_size)
else:
raise RuntimeError("Can not find {0}".format(f_size))
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):
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 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"]
error = Executable(fc)("empty.f", output=str, error=str, fail_on_error=False)
if "gfortran" in error or "GNU" in error or "gfortran" in fc:
# Use '-std=legacy' to suppress an error that used to be a
# warning in previous versions of gfortran.
fflags += ["-std=legacy"]
fflags = " ".join(fflags)
cflags = " ".join(cflags)
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")
# Make sure nekmpi wrapper uses srun when we know OpenMPI
# is not built with mpiexec
if "^openmpi~legacylaunchers" in spec:
filter_file(r"mpiexec -np", "srun -n", "nekmpi")
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")
if self.spec.version == Version("17.0"):
filter_file(
r"^#SOURCE_ROOT\s*=\"\$H.*",
'SOURCE_ROOT="' + prefix.bin.Nek5000 + '"',
"makenek",
)
else:
filter_file(
r"^#NEK_SOURCE_ROOT\s*=\"\$H.*",
'NEK_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(self.stage.source_path, prefix.bin.Nek5000)
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