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Switch version from ssmp to psmp for AiiDA and ASE tests

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Reason: cp2k.ssmp and cp2k.sdbg binaries are no longer built with MPI
This commit is contained in:
Matthias Krack 2025-02-17 12:00:10 +01:00
parent 9d37f364e8
commit 3a88bc4878
2 changed files with 5 additions and 5 deletions
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4
tools/docker/scripts/test_aiida.sh
View file

@ -3,7 +3,7 @@
# author: Ole Schuett
# Compile CP2K.
./build_cp2k_cmake.sh "toolchain" "ssmp" || exit 0
./build_cp2k_cmake.sh "toolchain" "psmp" || exit 0
echo -e "\n========== Installing Dependencies =========="
apt-get update -qq
@ -71,7 +71,7 @@ cat > /opt/conda/envs/cp2k/bin/cp2k.psmp << EndOfMessage
#!/bin/bash -e
export OMP_NUM_THREADS=2
source /opt/cp2k-toolchain/install/setup
/opt/cp2k/build/bin/cp2k.ssmp "\$@"
/opt/cp2k/build/bin/cp2k.psmp "\$@"
EndOfMessage
chmod +x /opt/conda/envs/cp2k/bin/cp2k.psmp

6
tools/docker/scripts/test_ase.sh
View file

@ -3,7 +3,7 @@
# author: Ole Schuett
# Compile CP2K.
./build_cp2k_cmake.sh "toolchain" "ssmp" || exit 0
./build_cp2k_cmake.sh "toolchain" "psmp" || exit 0
# Fake installation of data files.
mkdir -p ./share/cp2k
@ -13,7 +13,7 @@ cat > /usr/bin/cp2k_shell << EndOfMessage
#!/bin/bash -e
export OMP_NUM_THREADS=1
source /opt/cp2k-toolchain/install/setup
/opt/cp2k/build/bin/cp2k.ssmp --shell "\$@"
/opt/cp2k/build/bin/cp2k.psmp --shell "\$@"
EndOfMessage
chmod +x /usr/bin/cp2k_shell
@ -23,7 +23,7 @@ cat > /usr/bin/cp2k << EndOfMessage
#!/bin/bash -e
export OMP_NUM_THREADS=1
source /opt/cp2k-toolchain/install/setup
/opt/cp2k/build/bin/cp2k.ssmp "\$@"
/opt/cp2k/build/bin/cp2k.psmp "\$@"
EndOfMessage
chmod +x /usr/bin/cp2k