102 lines
3 KiB
Nix
102 lines
3 KiB
Nix
{ lib, stdenv, fetchurl, autoreconfHook, gfortran, perl
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, mpi, blas, lapack, scalapack, openssh
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# CPU optimizations
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, avxSupport ? stdenv.hostPlatform.avxSupport
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, avx2Support ? stdenv.hostPlatform.avx2Support
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, avx512Support ? stdenv.hostPlatform.avx512Support
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# Enable NIVIA GPU support
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# Note, that this needs to be built on a system with a GPU
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# present for the tests to succeed.
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, enableCuda ? false
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# type of GPU architecture
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, nvidiaArch ? "sm_60"
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, cudatoolkit
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} :
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assert blas.isILP64 == lapack.isILP64;
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assert blas.isILP64 == scalapack.isILP64;
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stdenv.mkDerivation rec {
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pname = "elpa";
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version = "2022.11.001";
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passthru = { inherit (blas) isILP64; };
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src = fetchurl {
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url = "https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/${version}/elpa-${version}.tar.gz";
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sha256 = "sha256-NeOX18CvlbtDvHvvf/8pQlwdpAD6DNhq6NO9L/L52Zk=";
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};
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patches = [
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# Use a plain name for the pkg-config file
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./pkg-config.patch
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];
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postPatch = ''
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patchShebangs ./fdep/fortran_dependencies.pl
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patchShebangs ./test-driver
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# Fix the test script generator
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substituteInPlace Makefile.am --replace '#!/bin/bash' '#!${stdenv.shell}'
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'';
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nativeBuildInputs = [ autoreconfHook perl openssh ];
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buildInputs = [ mpi blas lapack scalapack ]
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++ lib.optional enableCuda cudatoolkit;
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preConfigure = ''
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export FC="mpifort"
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export CC="mpicc"
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export CXX="mpicxx"
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export CPP="cpp"
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# These need to be set for configure to succeed
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export FCFLAGS="${lib.optionalString stdenv.hostPlatform.isx86_64 "-msse3 "
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+ lib.optionalString avxSupport "-mavx "
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+ lib.optionalString avx2Support "-mavx2 -mfma "
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+ lib.optionalString avx512Support "-mavx512"}"
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export CFLAGS=$FCFLAGS
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'';
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configureFlags = [
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"--with-mpi"
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"--enable-openmp"
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"--without-threading-support-check-during-build"
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] ++ lib.optional blas.isILP64 "--enable-64bit-integer-math-support"
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++ lib.optional (!avxSupport) "--disable-avx"
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++ lib.optional (!avx2Support) "--disable-avx2"
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++ lib.optional (!avx512Support) "--disable-avx512"
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++ lib.optional (!stdenv.hostPlatform.isx86_64) "--disable-sse"
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++ lib.optional (!stdenv.hostPlatform.isx86_64) "--disable-sse-assembly"
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++ lib.optional stdenv.hostPlatform.isx86_64 "--enable-sse-assembly"
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++ lib.optionals enableCuda [ "--enable-nvidia-gpu" "--with-NVIDIA-GPU-compute-capability=${nvidiaArch}" ];
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doCheck = true;
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preCheck = ''
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#patchShebangs ./
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# make sure the test starts even if we have less than 4 cores
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export OMPI_MCA_rmaps_base_oversubscribe=1
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# Fix to make mpich run in a sandbox
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export HYDRA_IFACE=lo
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# Run dual threaded
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export OMP_NUM_THREADS=2
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# Reduce test problem sizes
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export TEST_FLAGS="1500 50 16"
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'';
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meta = with lib; {
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description = "Eigenvalue Solvers for Petaflop-Applications";
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homepage = "https://elpa.mpcdf.mpg.de/";
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license = licenses.lgpl3Only;
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platforms = platforms.linux;
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maintainers = [ maintainers.markuskowa ];
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};
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}
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