157 lines
5.7 KiB
Python
157 lines
5.7 KiB
Python
# Copyright 2013-2023 Lawrence Livermore National Security, LLC and other
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# Spack Project Developers. See the top-level COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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import os
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from shutil import copyfile
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from spack.package import *
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class Nek5000(Package):
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"""A fast and scalable high-order solver for computational fluid
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dynamics"""
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homepage = "https://nek5000.mcs.anl.gov/"
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url = "https://github.com/Nek5000/Nek5000/archive/v17.0.tar.gz"
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git = "https://github.com/Nek5000/Nek5000.git"
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tags = [
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"cfd",
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"flow",
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"hpc",
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"solver",
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"navier-stokes",
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"spectral-elements",
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"fluid",
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"ecp",
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"ecp-apps",
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]
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version("develop", branch="master")
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version("17.0", "4d8d4793ce3c926c54e09a5a5968fa959fe0ba46bd2e6b8043e099528ee35a60")
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version("19.0", "db129877a10ff568d49edc77cf65f9e732eecb1fce10edbd91ffc5ac10c41ad6")
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# MPI, Profiling and Visit variants
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variant("mpi", default=True, description="Build with MPI.")
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variant("profiling", default=True, description="Build with profiling data.")
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variant("visit", default=False, description="Build with Visit.")
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# TODO: add a variant 'blas' or 'external-blas' to enable the usage of
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# Spack installed/configured blas.
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# Dependencies
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depends_on("mpi", when="+mpi")
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patch("add_fjfortran.patch", when="%fj")
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@run_before("install")
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def fortran_check(self):
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if not self.compiler.f77:
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msg = "Cannot build Nek5000 without a Fortran 77 compiler."
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raise RuntimeError(msg)
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@run_after("install")
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def test_install(self):
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with working_dir("short_tests/eddy"):
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f_size = join_path(os.getcwd(), "SIZE")
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f_size_legacy = join_path(os.getcwd(), "SIZE.legacy")
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if not os.access(f_size, os.F_OK):
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if os.access(f_size_legacy, os.F_OK):
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copyfile(f_size_legacy, f_size)
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else:
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raise RuntimeError("Can not find {0}".format(f_size))
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os.system(join_path(self.prefix.bin, "makenek") + " eddy_uv")
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if not os.path.isfile(join_path(os.getcwd(), "nek5000")):
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msg = "Cannot build example: short_tests/eddy."
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raise RuntimeError(msg)
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def install(self, spec, prefix):
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bin_dir = "bin"
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# Do not use the Spack compiler wrappers.
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# Use directly the compilers:
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fc = self.compiler.f77
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cc = self.compiler.cc
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fflags = spec.compiler_flags["fflags"]
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cflags = spec.compiler_flags["cflags"]
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if self.compiler.name in ["xl", "xl_r"]:
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# Use '-qextname' to add underscores.
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# Use '-WF,-qnotrigraph' to fix an error about a string: '... ??'
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fflags += ["-qextname", "-WF,-qnotrigraph"]
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error = Executable(fc)("empty.f", output=str, error=str, fail_on_error=False)
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if "gfortran" in error or "GNU" in error or "gfortran" in fc:
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# Use '-std=legacy' to suppress an error that used to be a
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# warning in previous versions of gfortran.
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fflags += ["-std=legacy"]
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fflags = " ".join(fflags)
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cflags = " ".join(cflags)
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with working_dir(bin_dir):
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if "+mpi" in spec:
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fc = spec["mpi"].mpif77
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cc = spec["mpi"].mpicc
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else:
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filter_file(r"^#MPI=0", "MPI=0", "makenek")
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# Make sure nekmpi wrapper uses srun when we know OpenMPI
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# is not built with mpiexec
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if "^openmpi~legacylaunchers" in spec:
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filter_file(r"mpiexec -np", "srun -n", "nekmpi")
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if "+profiling" not in spec:
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filter_file(r"^#PROFILING=0", "PROFILING=0", "makenek")
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if "+visit" in spec:
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filter_file(r"^#VISIT=1", "VISIT=1", "makenek")
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filter_file(
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r"^#VISIT_INSTALL=.*",
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'VISIT_INSTALL="' + spec["visit"].prefix.bin + '"',
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"makenek",
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)
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# Update the makenek to use correct compilers and
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# Nek5000 source.
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filter_file(r"^#FC\s*=.*", 'FC="{0}"'.format(fc), "makenek")
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filter_file(r"^#CC\s*=.*", 'CC="{0}"'.format(cc), "makenek")
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if self.spec.version == Version("17.0"):
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filter_file(
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r"^#SOURCE_ROOT\s*=\"\$H.*",
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'SOURCE_ROOT="' + prefix.bin.Nek5000 + '"',
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"makenek",
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)
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else:
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filter_file(
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r"^#NEK_SOURCE_ROOT\s*=\"\$H.*",
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'NEK_SOURCE_ROOT="' + prefix.bin.Nek5000 + '"',
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"makenek",
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)
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if fflags:
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filter_file(r"^#FFLAGS=.*", 'FFLAGS+=" {0}"'.format(fflags), "makenek")
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if cflags:
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filter_file(r"^#CFLAGS=.*", 'CFLAGS+=" {0}"'.format(cflags), "makenek")
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with working_dir("core"):
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if self.compiler.name in ["xl", "xl_r"]:
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# Patch 'core/makenek.inc' and 'makefile.template' to use
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# '-qextname' when checking for underscore becasue 'xl'/'xl_r'
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# use this option to enable the addition of the underscore.
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filter_file(r"^\$FCcomp -c ", "$FCcomp -qextname -c ", "makenek.inc")
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filter_file(
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r"\$\(FC\) -c \$\(L0\)", "$(FC) -c -qextname $(L0)", "makefile.template"
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)
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# Install Nek5000/bin in prefix/bin
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install_tree(bin_dir, prefix.bin)
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# Copy Nek5000 source to prefix/bin
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install_tree(self.stage.source_path, prefix.bin.Nek5000)
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