Unverified Commit 731aa244 authored by Markus Kowalewski's avatar Markus Kowalewski Committed by GitHub
Browse files

octopus: 16.0 -> 16.2 (#446446)

parents b7f90b13 a19281a3

pkgs/by-name/oc/octopus/package.nix

+20 −14
Original line number Diff line number Diff line
@@ -29,20 +29,21 @@ 
assert (!blas.isILP64) && (!lapack.isILP64);

assert (blas.isILP64 == arpack.isILP64);



stdenv.mkDerivation rec {

stdenv.mkDerivation (finalAttrs: {

  pname = "octopus";

  version = "16.0";

  version = "16.2";



  src = fetchFromGitLab {

    owner = "octopus-code";

    repo = "octopus";

    rev = version;

    hash = "sha256-sByiRTgAntJtSeL4h+49Mi9Rcxw2wK/BvXvsePa77HE=";

    tag = finalAttrs.version;

    hash = "sha256-L97igB+bdZ19zpbffHi8DVSJXKtUyDqauUB+l5zzFwQ=";

  };



  patches = [

    # Discover all MPI languages components to avoid scalpack discovery failure

    ./scalapack-mpi-alias.patch

  outputs = [

    "out"

    "dev"

    "testsuite"

  ];



  nativeBuildInputs = [
@@ -78,11 +79,11 @@ stdenv.mkDerivation rec { 
    (lib.cmakeBool "OCTOPUS_MPI" enableMpi)

    (lib.cmakeBool "OCTOPUS_ScaLAPACK" enableMpi)

    (lib.cmakeBool "OCTOPUS_OpenMP" true)

    (lib.cmakeBool "OCTOPUS_SHARED_LIBS" (!stdenv.hostPlatform.isStatic))

  ];



  nativeCheckInputs = lib.optional.enableMpi mpi;

  doCheck = false;

  checkTarget = "check-short";

  nativeCheckInputs = lib.optional enableMpi mpi;

  doCheck = false; # requires installed data



  postPatch = ''

    patchShebangs ./
@@ -92,15 +93,20 @@ stdenv.mkDerivation rec { 
    patchShebangs testsuite/oct-run_testsuite.sh

  '';



  postInstall = ''

    mkdir -p $testsuite

    moveToOutput share/octopus/testsuite $testsuite

  '';



  enableParallelBuilding = true;



  passthru = lib.attrsets.optionalAttrs enableMpi { inherit mpi; };



  meta = with lib; {

  meta = {

    description = "Real-space time dependent density-functional theory code";

    homepage = "https://octopus-code.org";

    maintainers = with maintainers; [ markuskowa ];

    license = with licenses; [

    maintainers = with lib.maintainers; [ markuskowa ];

    license = with lib.licenses; [

      gpl2Only

      asl20

      lgpl3Plus
@@ -108,4 +114,4 @@ stdenv.mkDerivation rec { 
    ];

    platforms = [ "x86_64-linux" ];

  };

}
 
})

pkgs/by-name/oc/octopus/scalapack-mpi-alias.patch

deleted100644 → 0
+0 −13
Original line number Diff line number Diff line 
diff --git a/CMakeLists.txt b/CMakeLists.txt

index 70d89efb5e..47ba750d7a 100644

--- a/CMakeLists.txt

+++ b/CMakeLists.txt

@@ -131,7 +131,7 @@ set(Octopus_ext_libs)

 find_package(GSL)

 if (OCTOPUS_MPI)

 	set(MPI_DETERMINE_LIBRARY_VERSION ON)

-	find_package(MPI 3 COMPONENTS Fortran)

+	find_package(MPI 3)

 	# Further set MKL variables

 	if (MPI_Fortran_LIBRARY_VERSION_STRING MATCHES Intel)

 		set(MKL_MPI intelmpi CACHE STRING "Octopus: Overloaded")