239 lines
9.0 KiB
Python
239 lines
9.0 KiB
Python
# Copyright 2013-2024 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 spack.package import *
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#
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# Please note that you can open issues on the github page of ELPA:
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# https://github.com/marekandreas/elpa/issues
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#
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class Elpa(AutotoolsPackage, CudaPackage, ROCmPackage):
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"""Eigenvalue solvers for Petaflop-Applications (ELPA)"""
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homepage = "https://elpa.mpcdf.mpg.de/"
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url = "https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/2015.11.001/elpa-2015.11.001.tar.gz"
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git = "https://gitlab.mpcdf.mpg.de/elpa/elpa.git"
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license("LGPL-3.0-only")
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version("master", branch="master")
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version(
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"2024.03.001", sha256="41c6cbf56d2dac26443faaba8a77307d261bf511682a64b96e24def77c813622"
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)
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version(
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"2023.11.001-patched",
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sha256="62ee109afc06539507f459c08b958dc4db65b757dbd77f927678c77f7687415e",
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url="https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/2023.11.001/elpa-2023.11.001-patched.tar.gz",
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)
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version(
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"2023.05.001", sha256="ec64be5d6522810d601a3b8e6a31720e3c3eb4af33a434d8a64570d76e6462b6"
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)
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version(
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"2022.11.001", sha256="75db3ac146f9a6a1598e3418ddcab2be2f40a30ef9ec4c00a3b5d3808c99c430"
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)
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version(
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"2021.11.001", sha256="fb361da6c59946661b73e51538d419028f763d7cb9dacf9d8cd5c9cd3fb7802f"
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)
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version(
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"2021.05.002_bugfix",
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sha256="deabc48de5b9e4b2f073d749d335c8f354a7ce4245b643a23b7951cd6c90224b",
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)
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version(
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"2021.05.001", sha256="a4f1a4e3964f2473a5f8177f2091a9da5c6b5ef9280b8272dfefcbc3aad44d41"
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)
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depends_on("c", type="build") # generated
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depends_on("cxx", type="build") # generated
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depends_on("fortran", type="build") # generated
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variant("openmp", default=True, description="Activates OpenMP support")
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variant("mpi", default=True, description="Activates MPI support")
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with when("@2021.11.001:"):
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variant(
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"autotune", default=False, description="Enables autotuning for matrix restribution"
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)
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variant(
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"gpu_streams", default=True, when="+cuda", description="Activates GPU streams support"
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)
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patch("fujitsu.patch", when="%fj")
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depends_on("autoconf@2.71:", type="build", when="@master")
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depends_on("automake", type="build", when="@master")
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depends_on("blas")
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depends_on("lapack")
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depends_on("mpi", when="+mpi")
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depends_on("scalapack", when="+mpi")
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depends_on("rocblas", when="+rocm")
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depends_on("libtool", type="build")
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depends_on("python@3:", type="build")
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depends_on("scalapack", when="+autotune")
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# Force openmp propagation on some providers of blas/lapack, as adviced by docs
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# https://gitlab.mpcdf.mpg.de/elpa/elpa/-/blob/master/documentation/PERFORMANCE_TUNING.md?ref_type=heads#builds-with-openmp-enabled
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with when("+openmp"):
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requires("^openblas threads=openmp", when="^[virtuals=blas,lapack] openblas")
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requires("^intel-mkl threads=openmp", when="^[virtuals=blas,lapack] intel-mkl")
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requires(
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"^intel-oneapi-mkl threads=openmp", when="^[virtuals=blas,lapack] intel-oneapi-mkl"
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)
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requires(
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"^intel-parallel-studio threads=openmp",
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when="^[virtuals=blas,lapack] intel-parallel-studio",
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)
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# fails to build due to broken type-bound procedures in OMP parallel regions
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conflicts(
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"+openmp",
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when="@2021.05.001: %gcc@:7",
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msg="ELPA-2021.05.001+ requires GCC-8+ for OpenMP support",
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)
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conflicts("+mpi", when="+rocm", msg="ROCm support and MPI are not yet compatible")
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conflicts(
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"+gpu_streams",
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when="@:2023.11.001-patched +openmp",
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msg="GPU streams currently not supported in combination with OpenMP",
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)
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def url_for_version(self, version):
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return "https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/{0}/elpa-{0}.tar.gz".format(
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str(version)
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)
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# override default implementation which returns static lib
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@property
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def libs(self):
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libname = "libelpa_openmp" if "+openmp" in self.spec else "libelpa"
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return find_libraries(libname, root=self.prefix, shared=True)
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@property
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def headers(self):
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suffix = "_openmp" if self.spec.satisfies("+openmp") else ""
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# upstream sometimes adds tarball suffixes not part of the internal version
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elpa_version = str(self.spec.version)
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for vsuffix in ("_bugfix", "-patched"):
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if elpa_version.endswith(vsuffix): # implementation of py3.9 removesuffix
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elpa_version = elpa_version[: -len(vsuffix)]
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incdir = os.path.join(
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self.spec.prefix.include,
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"elpa{suffix}-{version}".format(suffix=suffix, version=elpa_version),
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)
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hlist = find_headers("*", incdir)
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hlist.directories = [incdir]
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return hlist
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build_directory = "spack-build"
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parallel = False
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def configure_args(self):
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spec = self.spec
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options = []
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options += self.with_or_without("mpi")
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# New options use the "-kernels" suffix
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kernels = "-kernels" if spec.satisfies("@2023.11:") else ""
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# TODO: --disable-sse-assembly, --enable-sparc64, --enable-neon-arch64
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# Don't include vsx; as of 2022.05 it fails (reported upstream).
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# Altivec SSE intrinsics are used anyway.
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simd_features = ["sse", "avx", "avx2", "avx512", "sve128", "sve256", "sve512"]
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for feature in simd_features:
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msg = "--enable-{0}" if feature in spec.target else "--disable-{0}"
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options.append(msg.format(feature + kernels))
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if spec.target.family != "x86_64":
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options.append("--disable-sse-assembly")
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if spec.satisfies("%aocc") or spec.satisfies("%fj"):
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options.append("--disable-shared")
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options.append("--enable-static")
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# If no features are found, enable the generic ones
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if not any(f in spec.target for f in simd_features):
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options.append("--enable-generic" + kernels)
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if self.compiler.name == "gcc":
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options.extend(["CFLAGS=-O3", "FCFLAGS=-O3 -ffree-line-length-none"])
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if spec.satisfies("%aocc"):
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options.extend(["FCFLAGS=-O3", "CFLAGS=-O3"])
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if spec.satisfies("%fj"):
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options.append("--disable-Fortran2008-features")
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options.append("--enable-FUGAKU")
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if spec.satisfies("+openmp"):
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options.extend(["FCFLAGS=-Kparallel"])
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cuda_flag = "nvidia-gpu"
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if spec.satisfies("+cuda"):
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prefix = spec["cuda"].prefix
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# Can't yet be changed to the new option --enable-nvidia-gpu-kernels
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# https://github.com/marekandreas/elpa/issues/55
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options.append(f"--enable-{cuda_flag}")
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options.append("--with-cuda-path={0}".format(prefix))
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options.append("--with-cuda-sdk-path={0}".format(prefix))
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if spec.satisfies("+gpu_streams"):
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options.append("--enable-gpu-streams=nvidia")
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cuda_arch = spec.variants["cuda_arch"].value[0]
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if cuda_arch != "none":
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options.append(
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"--with-{0}-compute-capability=sm_{1}".format(cuda_flag.upper(), cuda_arch)
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)
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else:
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options.append(f"--disable-{cuda_flag}" + kernels)
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if spec.satisfies("+rocm"):
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# Can't yet be changed to the new option --enable-amd-gpu-kernels
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# https://github.com/marekandreas/elpa/issues/55
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options.append("--enable-amd-gpu")
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options.append("CXX={0}".format(self.spec["hip"].hipcc))
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if spec.satisfies("+gpu_streams"):
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options.append("--enable-gpu-streams=amd")
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elif self.spec.satisfies("@2021.05.001:"):
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options.append("--disable-amd-gpu" + kernels)
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options += self.enable_or_disable("openmp")
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# Additional linker search paths and link libs
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ldflags = [spec["blas"].libs.search_flags, spec["lapack"].libs.search_flags, "-lstdc++"]
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libs = [spec["lapack"].libs.link_flags, spec["blas"].libs.link_flags]
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options += [f'LDFLAGS={" ".join(ldflags)}', f'LIBS={" ".join(libs)}']
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if self.spec.satisfies("+mpi"):
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options += [
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"CC={0}".format(spec["mpi"].mpicc),
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"CXX={0}".format(spec["mpi"].mpicxx),
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"FC={0}".format(spec["mpi"].mpifc),
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"SCALAPACK_LDFLAGS={0}".format(spec["scalapack"].libs.joined()),
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]
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if self.spec.satisfies("+autotune"):
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options.append("--enable-autotune-redistribute-matrix")
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# --enable-autotune-redistribute-matrix requires --enable-scalapack-tests as well
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options.append("--enable-scalapack-tests")
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options.append("--disable-silent-rules")
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options.append("--without-threading-support-check-during-build")
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return options
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