From ab58642e140feee45ea48704f66484c34a6bacef Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Sat, 20 Jul 2024 23:30:41 +0200 Subject: [PATCH] Update Darwin arch file --- arch/Darwin-gnu-arm64.psmp | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/arch/Darwin-gnu-arm64.psmp b/arch/Darwin-gnu-arm64.psmp index 4ab3f84668..9ffae01c1f 100644 --- a/arch/Darwin-gnu-arm64.psmp +++ b/arch/Darwin-gnu-arm64.psmp @@ -3,7 +3,7 @@ # CP2K Darwin arch file for a parallel arm64 binary # (https://www.cp2k.org/howto:compile_on_macos) # -# Tested with: GNU 14.1.0, OpenMPI 4.1.6,, +# Tested with: GNU 14.1.0, OpenMPI 5.0.3,, # ScaLAPACK 2.2.1, OpenBLAS 0.3.27, # FFTW 3.3.10, HDF5 1.14.3, # LIBINT 2.6.0, LIBXC 6.2.2, @@ -11,14 +11,14 @@ # LIBVORI 220621, GSL 2.7.1, # COSMA 2.6.6, SIRIUS 7.5.2, # LIBGRPP 20231215, DFTD4 3.6.0, -# SPFFT 1.0.6, SPLA 1.6.0 +# SPFFT 1.1.0, SPLA 1.6.1 # on an Apple M1 (macOS 14.5.0 Sonoma) # # Usage: Source this arch file and then run make as instructed. # Ensure the links in /opt/homebrew/bin to the gcc version # and "brew unlink openmpi" (or mpich) if installed. # -# Last update: 30.06.2024 +# Last update: 20.07.2024 # # \ if [[ "${0}" == "${BASH_SOURCE}" ]]; then \ @@ -82,9 +82,9 @@ USE_LIBVORI := 220621 USE_PLUMED := 2.9.0 USE_SCALAPACK := 2.2.1 USE_SIRIUS := 7.5.2 -USE_SPFFT := 1.0.6 +USE_SPFFT := 1.1.0 USE_SPGLIB := 2.3.1 -USE_SPLA := 1.6.0 +USE_SPLA := 1.6.1 # Only needed for SIRIUS LIBVDWXC_VER := 0.4.0