mirror of
https://github.com/NixOS/nixpkgs.git
synced 2024-12-22 21:53:32 +00:00
99 lines
2.9 KiB
Nix
99 lines
2.9 KiB
Nix
{ lib, stdenv, fetchurl, autoreconfHook, gfortran, perl
|
|
, mpi, blas, lapack, scalapack, openssh
|
|
# CPU optimizations
|
|
, avxSupport ? stdenv.hostPlatform.avxSupport
|
|
, avx2Support ? stdenv.hostPlatform.avx2Support
|
|
, avx512Support ? stdenv.hostPlatform.avx512Support
|
|
# Enable NIVIA GPU support
|
|
# Note, that this needs to be built on a system with a GPU
|
|
# present for the tests to succeed.
|
|
, enableCuda ? false
|
|
# type of GPU architecture
|
|
, nvidiaArch ? "sm_60"
|
|
, cudatoolkit
|
|
} :
|
|
|
|
assert blas.isILP64 == lapack.isILP64;
|
|
assert blas.isILP64 == scalapack.isILP64;
|
|
|
|
stdenv.mkDerivation rec {
|
|
pname = "elpa";
|
|
version = "2021.11.001";
|
|
|
|
passthru = { inherit (blas) isILP64; };
|
|
|
|
src = fetchurl {
|
|
url = "https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/${version}/elpa-${version}.tar.gz";
|
|
sha256 = "0bw0nwzwvjfmijfwznmrghypd3q237a3h5g5fcdncilrqnk1sdpv";
|
|
};
|
|
|
|
patches = [
|
|
# Use a plain name for the pkg-config file
|
|
./pkg-config.patch
|
|
];
|
|
|
|
postPatch = ''
|
|
patchShebangs ./fdep/fortran_dependencies.pl
|
|
patchShebangs ./test-driver
|
|
|
|
# Fix the test script generator
|
|
substituteInPlace Makefile.am --replace '#!/bin/bash' '#!${stdenv.shell}'
|
|
'';
|
|
|
|
nativeBuildInputs = [ autoreconfHook perl openssh ];
|
|
|
|
buildInputs = [ mpi blas lapack scalapack ]
|
|
++ lib.optional enableCuda cudatoolkit;
|
|
|
|
preConfigure = ''
|
|
export FC="mpifort"
|
|
export CC="mpicc"
|
|
|
|
# These need to be set for configure to succeed
|
|
export FCFLAGS="${lib.optionalString stdenv.hostPlatform.isx86_64 "-msse3 "
|
|
+ lib.optionalString avxSupport "-mavx "
|
|
+ lib.optionalString avx2Support "-mavx2 -mfma "
|
|
+ lib.optionalString avx512Support "-mavx512"}"
|
|
|
|
export CFLAGS=$FCFLAGS
|
|
'';
|
|
|
|
configureFlags = [
|
|
"--with-mpi"
|
|
"--enable-openmp"
|
|
"--without-threading-support-check-during-build"
|
|
] ++ lib.optional blas.isILP64 "--enable-64bit-integer-math-support"
|
|
++ lib.optional (!avxSupport) "--disable-avx"
|
|
++ lib.optional (!avx2Support) "--disable-avx2"
|
|
++ lib.optional (!avx512Support) "--disable-avx512"
|
|
++ lib.optional (!stdenv.hostPlatform.isx86_64) "--disable-sse"
|
|
++ lib.optional stdenv.hostPlatform.isx86_64 "--enable-sse-assembly"
|
|
++ lib.optionals enableCuda [ "--enable-nvidia-gpu" "--with-NVIDIA-GPU-compute-capability=${nvidiaArch}" ];
|
|
|
|
doCheck = true;
|
|
|
|
preCheck = ''
|
|
#patchShebangs ./
|
|
|
|
# make sure the test starts even if we have less than 4 cores
|
|
export OMPI_MCA_rmaps_base_oversubscribe=1
|
|
|
|
# Fix to make mpich run in a sandbox
|
|
export HYDRA_IFACE=lo
|
|
|
|
# Run dual threaded
|
|
export OMP_NUM_THREADS=2
|
|
|
|
# Reduce test problem sizes
|
|
export TEST_FLAGS="1500 50 16"
|
|
'';
|
|
|
|
meta = with lib; {
|
|
description = "Eigenvalue Solvers for Petaflop-Applications";
|
|
homepage = "https://elpa.mpcdf.mpg.de/";
|
|
license = licenses.lgpl3Only;
|
|
platforms = platforms.linux;
|
|
maintainers = [ maintainers.markuskowa ];
|
|
};
|
|
}
|