comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-28 22:25:32 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Update Darwin arch files: exclude tblite

Browse source
This commit is contained in:
Matthias Krack 2025-10-06 14:07:14 +02:00
parent 76a57384b1
commit cb9df732d3
2 changed files with 9 additions and 9 deletions
Download patch file Download diff file Expand all files Collapse all files

8
arch/Darwin-gnu-arm64.psmp
View file

@ -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

10
arch/Darwin-gnu-arm64.ssmp
View file

@ -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