80 lines
1.6 KiB
Nix
80 lines
1.6 KiB
Nix
{
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stdenv,
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lib,
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fetchFromGitHub,
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cmake,
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mpiCheckPhaseHook,
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pkg-config,
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fypp,
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gfortran,
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blas,
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lapack,
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python3,
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libxsmm,
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mpi,
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}:
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stdenv.mkDerivation rec {
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pname = "dbcsr";
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version = "2.7.0";
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src = fetchFromGitHub {
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owner = "cp2k";
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repo = "dbcsr";
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rev = "v${version}";
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hash = "sha256-QEO7f27DLsCvKXgFJnneHs1kO+5V9xiURpbQuGg1P0M=";
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};
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postPatch = ''
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patchShebangs .
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# Force build of shared library, otherwise just static.
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substituteInPlace src/CMakeLists.txt \
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--replace 'add_library(dbcsr ''${DBCSR_SRCS})' 'add_library(dbcsr SHARED ''${DBCSR_SRCS})' \
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--replace 'add_library(dbcsr_c ''${DBCSR_C_SRCS})' 'add_library(dbcsr_c SHARED ''${DBCSR_C_SRCS})'
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# Avoid calling the fypp wrapper script with python again. The nix wrapper took care of that.
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substituteInPlace cmake/fypp-sources.cmake \
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--replace 'COMMAND ''${Python_EXECUTABLE} ''${FYPP_EXECUTABLE}' 'COMMAND ''${FYPP_EXECUTABLE}'
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'';
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nativeBuildInputs = [
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gfortran
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python3
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cmake
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pkg-config
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fypp
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];
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buildInputs = [
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blas
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lapack
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libxsmm
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];
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propagatedBuildInputs = [ mpi ];
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cmakeFlags = [
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"-DUSE_OPENMP=ON"
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"-DUSE_SMM=libxsmm"
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"-DWITH_C_API=ON"
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"-DBUILD_TESTING=ON"
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"-DTEST_OMP_THREADS=2"
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"-DTEST_MPI_RANKS=2"
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"-DENABLE_SHARED=ON"
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"-DUSE_MPI=ON"
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];
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checkInputs = [
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mpiCheckPhaseHook
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];
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doCheck = true;
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meta = with lib; {
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description = "Distributed Block Compressed Sparse Row matrix library";
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license = licenses.gpl2Only;
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homepage = "https://github.com/cp2k/dbcsr";
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maintainers = [ maintainers.sheepforce ];
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};
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}
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