diff --git a/tools/docker/scripts/test_ase.sh b/tools/docker/scripts/test_ase.sh index 1bfb5bd9f1..51f8aa86a9 100755 --- a/tools/docker/scripts/test_ase.sh +++ b/tools/docker/scripts/test_ase.sh @@ -36,8 +36,8 @@ mpiexec -np 2 /workspace/cp2k/exe/local/cp2k.pdbg "\$@" EndOfMessage chmod +x /usr/bin/cp2k -mkdir -p ~/.ase -echo '{"cp2k": "/usr/bin/cp2k_shell"}' > ~/.ase/executables.json +mkdir -p ~/.config/ase +echo -e "[executables]\ncp2k = /usr/bin/cp2k_shell\n" > ~/.config/ase/ase.conf echo -e "\n========== Installing ASE ==========" cd /opt/ase/