From 297b4fcc5dab36787ed7caeacc7b50077fceb2db Mon Sep 17 00:00:00 2001 From: Phillip Seeber Date: Tue, 30 Jan 2024 11:06:31 +0100 Subject: [PATCH] sirius: 7.4.3 -> 7.5.2 --- pkgs/by-name/si/sirius/package.nix | 14 ++++++-------- 1 file changed, 6 insertions(+), 8 deletions(-) diff --git a/pkgs/by-name/si/sirius/package.nix b/pkgs/by-name/si/sirius/package.nix index c09b9360419e..c8e42ff72fc8 100644 --- a/pkgs/by-name/si/sirius/package.nix +++ b/pkgs/by-name/si/sirius/package.nix @@ -16,6 +16,7 @@ , spfft , spla , costa +, umpire , scalapack , boost , eigen @@ -37,20 +38,15 @@ assert builtins.elem gpuBackend [ "none" "cuda" "rocm" ]; stdenv.mkDerivation rec { pname = "SIRIUS"; - version = "7.4.3"; + version = "7.5.2"; src = fetchFromGitHub { owner = "electronic-structure"; repo = pname; rev = "v${version}"; - hash = "sha256-s4rO+dePvtvn41wxCvbqgQGrEckWmfng7sPX2M8OPB0="; + hash = "sha256-DYie6ufgZNqg7ohlIed3Bo+sqLKHOxWXTwAkea2guLk="; }; - postPatch = '' - substituteInPlace src/gpu/acc_blas_api.hpp \ - --replace '#include ' '#include ' - ''; - nativeBuildInputs = [ cmake gfortran @@ -63,6 +59,7 @@ stdenv.mkDerivation rec { gsl libxc hdf5 + umpire spglib spfft spla @@ -110,11 +107,12 @@ stdenv.mkDerivation rec { doCheck = true; # Can not run parallel checks generally as it requires exactly multiples of 4 MPI ranks + # Even cpu_serial tests had to be disabled as they require scalapack routines in the sandbox + # and run into the same problem as MPI tests checkPhase = '' runHook preCheck ctest --output-on-failure --label-exclude integration_test - ctest --output-on-failure -L cpu_serial runHook postCheck '';