comp-chem/cp2k
1
0
Fork 0
mirror of https://github.com/cp2k/cp2k.git synced 2026-07-28 06:05:29 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions

Update arch file for Merlin tester

Browse source
This commit is contained in:
Matthias Krack 2025-03-25 11:20:36 +01:00
parent 9c60d2d99f
commit 7685a0e7af
1 changed files with 4 additions and 4 deletions
Download patch file Download diff file Expand all files Collapse all files

8
arch/Linux-gnu-x86_64.psmp
View file

@ -29,13 +29,13 @@
if [[ -n "${2}" ]]; then \
module add ${2}; \
module list; \
./install_cp2k_toolchain.sh --install-all -j${maxtasks} --no-arch-files --target-cpu=${target_cpu} --with-gcc=system --with-${mpi_implementation}=system; \
./install_cp2k_toolchain.sh --install-all -j${maxtasks} --no-arch-files --target-cpu=${target_cpu} --with-gcc=system --with-${mpi_implementation}=system --with-deepmd=no; \
else \
module list; \
./install_cp2k_toolchain.sh --install-all -j${maxtasks} --no-arch-files --target-cpu=${target_cpu} --with-gcc=system --with-${mpi_implementation}; \
./install_cp2k_toolchain.sh --install-all -j${maxtasks} --no-arch-files --target-cpu=${target_cpu} --with-gcc=system --with-${mpi_implementation} --with-deepmd=no; \
fi; \
else \
./install_cp2k_toolchain.sh --install-all -j${maxtasks} --no-arch-files --target-cpu=${target_cpu} --with-gcc --with-${mpi_implementation}; \
./install_cp2k_toolchain.sh --install-all -j${maxtasks} --no-arch-files --target-cpu=${target_cpu} --with-gcc --with-${mpi_implementation} --with-deepmd=no; \
fi; \
source ./install/setup; \
cd ../..; \
@ -65,7 +65,7 @@ TARGET_CPU := native
# Retrieve package versions
GNU_VER := $(shell gcc -dumpfullversion)
USE_COSMA := $(COSMA_VER)
USE_DEEPMD := $(DEEPMD_VER)
#USE_DEEPMD := $(DEEPMD_VER)
USE_DFTD4 := $(DFTD4_VER)
USE_ELPA := $(ELPA_VER)
USE_FFTW := $(FFTW_VER)