Docker: Enable test_cp2k_dcd.py in ASE

cp2k · Apr 13, 2022 · a1dac8c · a1dac8c
1 parent b91a412
commit a1dac8c
Showing 1 changed file with 5 additions and 1 deletion.
diff --git a/tools/docker/scripts/test_ase.sh b/tools/docker/scripts/test_ase.sh
@@ -36,7 +36,11 @@ EndOfMessage
 chmod +x /usr/bin/cp2k
 
 mkdir -p ~/.config/ase
-echo -e "[executables]\ncp2k = /usr/bin/cp2k_shell\n" > ~/.config/ase/ase.conf
+cat > ~/.config/ase/ase.conf << EndOfMessage
+[executables]
+cp2k = /usr/bin/cp2k_shell
+cp2k_main = /usr/bin/cp2k
+EndOfMessage
 
 echo -e "\n========== Installing Dependencies =========="
 apt-get update -qq