From a1dac8cd7ccc8a856552ca74d851d5f5478a0b0a Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Mon, 11 Apr 2022 13:11:11 +0200 Subject: [PATCH] Docker: Enable test_cp2k_dcd.py in ASE --- tools/docker/scripts/test_ase.sh | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/tools/docker/scripts/test_ase.sh b/tools/docker/scripts/test_ase.sh index 4535a814cb..ddc7f06eb9 100755 --- 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