# Copyright 2013-2024 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)