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Docker: Enable test_cp2k_dcd.py in ASE

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Ole Schütt 2022-04-11 13:11:11 +02:00 • committed by Ole Schütt
parent b91a4127e3
commit a1dac8cd7c
1 changed files with 5 additions and 1 deletions
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6
tools/docker/scripts/test_ase.sh
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@ -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