# Copyright 2013-2022 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 spack.package import * class Elpa(AutotoolsPackage, CudaPackage, ROCmPackage): """Eigenvalue solvers for Petaflop-Applications (ELPA)""" homepage = "https://elpa.mpcdf.mpg.de/" url = "https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/2015.11.001/elpa-2015.11.001.tar.gz" version( "2021.11.001", sha256="fb361da6c59946661b73e51538d419028f763d7cb9dacf9d8cd5c9cd3fb7802f" ) version( "2021.05.002_bugfix", sha256="deabc48de5b9e4b2f073d749d335c8f354a7ce4245b643a23b7951cd6c90224b", ) version( "2021.05.001", sha256="a4f1a4e3964f2473a5f8177f2091a9da5c6b5ef9280b8272dfefcbc3aad44d41" ) version( "2020.05.001", sha256="66ff1cf332ce1c82075dc7b5587ae72511d2bcb3a45322c94af6b01996439ce5" ) version( "2019.11.001", sha256="10374a8f042e23c7e1094230f7e2993b6f3580908a213dbdf089792d05aff357" ) version( "2019.05.002", sha256="d2eab5e5d74f53601220b00d18185670da8c00c13e1c1559ecfb0cd7cb2c4e8d" ) version( "2018.11.001", sha256="cc27fe8ba46ce6e6faa8aea02c8c9983052f8e73a00cfea38abf7613cb1e1b16" ) version( "2018.05.001.rc1", sha256="598c01da20600a4514ea4d503b93e977ac0367e797cab7a7c1b0e0e3e86490db", ) version( "2017.11.001", sha256="59f99c3abe2190fac0db8a301d0b9581ee134f438669dbc92551a54f6f861820" ) version( "2017.05.003", sha256="bccd49ce35a323bd734b17642aed8f2588fea4cc78ee8133d88554753bc3bf1b" ) version( "2017.05.002", sha256="568b71024c094d667b5cbb23045ad197ed5434071152ac608dae490ace5eb0aa" ) version( "2017.05.001", sha256="28f7edad60984d93da299016ad33571dc6db1cdc9fab0ceaef05dc07de2c7dfd" ) version( "2016.11.001.pre", sha256="69b67f0f6faaa2b3b5fd848127b632be32771636d2ad04583c5269d550956f92", ) version( "2016.05.004", sha256="08c59dc9da458bab856f489d779152e5506e04f0d4b8d6dcf114ca5fbbe46c58" ) version( "2016.05.003", sha256="c8da50c987351514e61491e14390cdea4bdbf5b09045261991876ed5b433fca4" ) version( "2015.11.001", sha256="c0761a92a31c08a4009c9688c85fc3fc8fde9b6ce05e514c3e1587cf045e9eba" ) variant("openmp", default=True, description="Activates OpenMP support") variant("mpi", default=True, description="Activates MPI support") depends_on("blas") depends_on("lapack") depends_on("mpi", when="+mpi") depends_on("scalapack", when="+mpi") depends_on("rocblas", when="+rocm") depends_on("libtool", type="build") depends_on("python@:2", type="build", when="@:2020.05.001") depends_on("python@3:", type="build", when="@2020.11.001:") with when("@2021.11.01:"): variant( "autotune", default=False, description="Enables autotuning for matrix restribution" ) depends_on("scalapack", when="+autotune") patch("python_shebang.patch", when="@:2020.05.001") # fails to build due to broken type-bound procedures in OMP parallel regions conflicts( "+openmp", when="@2021.05.001: %gcc@:7", msg="ELPA-2021.05.001+ requires GCC-8+ for OpenMP support", ) conflicts("+rocm", when="@:2020", msg="ROCm support was introduced in ELPA 2021.05.001") conflicts("+mpi", when="+rocm", msg="ROCm support and MPI are not yet compatible") def url_for_version(self, version): return "https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/{0}/elpa-{0}.tar.gz".format( str(version) ) # override default implementation which returns static lib @property def libs(self): libname = "libelpa_openmp" if "+openmp" in self.spec else "libelpa" return find_libraries(libname, root=self.prefix, shared=True, recursive=True) @property def headers(self): suffix = "_openmp" if self.spec.satisfies("+openmp") else "" # upstream sometimes adds tarball suffixes not part of the internal version elpa_version = str(self.spec.version) for vsuffix in ("_bugfix",): if elpa_version.endswith(vsuffix): # implementation of py3.9 removesuffix elpa_version = elpa_version[: -len(vsuffix)] incdir = os.path.join( self.spec.prefix.include, "elpa{suffix}-{version}".format(suffix=suffix, version=elpa_version), ) hlist = find_all_headers(incdir) hlist.directories = [incdir] return hlist build_directory = "spack-build" parallel = False def configure_args(self): spec = self.spec options = [] options += self.with_or_without("mpi") # TODO: --disable-sse-assembly, --enable-sparc64, --enable-neon-arch64 # Don't include vsx; as of 2022.05 it fails (reported upstream). # Altivec SSE intrinsics are used anyway. simd_features = ["sse", "avx", "avx2", "avx512", "sve128", "sve256", "sve512"] for feature in simd_features: msg = "--enable-{0}" if feature in spec.target else "--disable-{0}" options.append(msg.format(feature)) if spec.target.family != "x86_64": options.append("--disable-sse-assembly") if "%aocc" in spec: options.append("--disable-shared") options.append("--enable-static") # If no features are found, enable the generic ones if not any(f in spec.target for f in simd_features): options.append("--enable-generic") if self.compiler.name == "gcc": gcc_options = [] gfortran_options = ["-ffree-line-length-none"] if self.compiler.version >= Version("10.0.0") and spec.version <= Version( "2019.11.001" ): gfortran_options.append("-fallow-argument-mismatch") space_separator = " " options.extend( [ "CFLAGS=" + space_separator.join(gcc_options), "FCFLAGS=" + space_separator.join(gfortran_options), ] ) if "%aocc" in spec: options.extend(["FCFLAGS=-O3", "CFLAGS=-O3"]) cuda_flag = "nvidia-gpu" if "@2021.05.001:" in self.spec else "gpu" if "+cuda" in spec: prefix = spec["cuda"].prefix options.append("--enable-{0}".format(cuda_flag)) options.append("--with-cuda-path={0}".format(prefix)) options.append("--with-cuda-sdk-path={0}".format(prefix)) cuda_arch = spec.variants["cuda_arch"].value[0] if cuda_arch != "none": options.append( "--with-{0}-compute-capability=sm_{1}".format(cuda_flag.upper(), cuda_arch) ) else: options.append("--disable-{0}".format(cuda_flag)) if "+rocm" in spec: options.append("--enable-amd-gpu") options.append("CXX={0}".format(self.spec["hip"].hipcc)) elif "@2021.05.001:" in self.spec: options.append("--disable-amd-gpu") options += self.enable_or_disable("openmp") options += [ "LDFLAGS={0}".format(spec["lapack"].libs.search_flags), "LIBS={0} {1}".format(spec["lapack"].libs.link_flags, spec["blas"].libs.link_flags), ] if "+mpi" in self.spec: options += [ "CC={0}".format(spec["mpi"].mpicc), "CXX={0}".format(spec["mpi"].mpicxx), "FC={0}".format(spec["mpi"].mpifc), "SCALAPACK_LDFLAGS={0}".format(spec["scalapack"].libs.joined()), ] if "+autotune" in self.spec: options.append("--enable-autotune-redistribute-matrix") options.append("--disable-silent-rules") options.append("--without-threading-support-check-during-build") return options