From cb9df732d3bcfee5eaca613219973f5b2bdf1b42 Mon Sep 17 00:00:00 2001 From: Matthias Krack Date: Mon, 6 Oct 2025 14:07:14 +0200 Subject: [PATCH] Update Darwin arch files: exclude tblite --- arch/Darwin-gnu-arm64.psmp | 8 ++++---- arch/Darwin-gnu-arm64.ssmp | 10 +++++----- 2 files changed, 9 insertions(+), 9 deletions(-) diff --git a/arch/Darwin-gnu-arm64.psmp b/arch/Darwin-gnu-arm64.psmp index 321e703f96..a17ccfc243 100644 --- a/arch/Darwin-gnu-arm64.psmp +++ b/arch/Darwin-gnu-arm64.psmp @@ -3,13 +3,13 @@ # CP2K Darwin arch file for a parallel arm64 binary # (https://www.cp2k.org/howto:compile_on_macos) # -# Tested with: GNU 15.1.0 and OpenMPI 5.0.8 on an Apple M1 (macOS 15.6 Sequoia) +# Tested with: GNU 15.2.0 and OpenMPI 5.0.8 on an Apple M1 (macOS 15.6 Sequoia) # # 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: 19.08.2025 +# Last update: 06.10.2025 # # \ if [[ "${0}" == "${BASH_SOURCE}" ]]; then \ @@ -48,7 +48,7 @@ --with-elpa=no --with-fftw=$(brew --prefix fftw) --with-gcc=system --with-gsl=$(brew --prefix gsl) \ --with-hdf5=$(brew --prefix hdf5) --with-libxc=$(brew --prefix libxc) --with-ninja=$(brew --prefix ninja) \ --with-openblas=$(brew --prefix openblas) --with-${mpi_implementation} --with-gmp=$(brew --prefix gmp) \ - --with-libgrpp --with-libsmeagol --with-libtorch=no --with-deepmd=no; \ + --with-libgrpp --with-libsmeagol --with-libtorch=no --with-deepmd=no --with-tblite=no; \ source ./install/setup; \ cd ../..; \ echo; \ @@ -87,7 +87,7 @@ USE_SIRIUS := $(SIRIUS_VER) USE_SPFFT := $(SPFFT_VER) USE_SPGLIB := $(SPGLIB_VER) USE_SPLA := $(SPLA_VER) -USE_TBLITE := $(TBLITE_VER) +#USE_TBLITE := $(TBLITE_VER) USE_TREXIO := $(TREXIO_VER) LMAX := 5 diff --git a/arch/Darwin-gnu-arm64.ssmp b/arch/Darwin-gnu-arm64.ssmp index 5e0e51ec71..e7372bcdf4 100644 --- a/arch/Darwin-gnu-arm64.ssmp +++ b/arch/Darwin-gnu-arm64.ssmp @@ -3,12 +3,12 @@ # CP2K Darwin arch file for a serial arm64 binary # (https://www.cp2k.org/howto:compile_on_macos) # -# Tested with: GNU 14.3.0 on an Apple M1 (macOS 15.5 Sequoia) +# Tested with: GNU 15.2.0 on an Apple M1 (macOS 15.6 Sequoia) # # Usage: Source this arch file and then run make as instructed. # Ensure the links in /opt/homebrew/bin to the gcc version. # -# Last update: 12.06.2025 +# Last update: 06.10.2025 # # \ if [[ "${0}" == "${BASH_SOURCE}" ]]; then \ @@ -25,7 +25,7 @@ brew install coreutils; \ brew install fftw; \ brew install gawk; \ - brew install gcc@14; \ + brew install gcc; \ brew install hdf5; \ brew install libaec; \ brew install libxc; \ @@ -43,7 +43,7 @@ ./install_cp2k_toolchain.sh -j${maxtasks} --mpi-mode=no --no-arch-files --target-cpu=${target_cpu} \ --with-cmake=$(brew --prefix cmake) --with-dftd4 --with-fftw=$(brew --prefix fftw) --with-gcc=system \ --with-hdf5=$(brew --prefix hdf5) --with-libxc=$(brew --prefix libxc) --with-ninja=$(brew --prefix ninja) \ - --with-openblas=$(brew --prefix openblas) --with-trexio --with-libtorch=no --with-deepmd=no; \ + --with-openblas=$(brew --prefix openblas) --with-trexio --with-libtorch=no --with-deepmd=no --with-tblite=no; \ source ./install/setup; \ cd ../..; \ echo; \ @@ -73,7 +73,7 @@ USE_LIBVORI := $(LIBVORI_VER) USE_LIBXSMM := $(LIBXSMM_VER) USE_OPENBLAS := $(OPENBLAS_VER) USE_SPGLIB := $(SPGLIB_VER) -USE_TBLITE := $(TBLITE_VER) +#USE_TBLITE := $(TBLITE_VER) USE_TREXIO := $(TREXIO_VER) LMAX := 5