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Docker: Fix AiiDA test
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oschuett committed Mar 30, 2019
1 parent b0841a2 commit 8e1bbb0
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Showing 2 changed files with 5 additions and 1 deletion.
1 change: 1 addition & 0 deletions tools/docker/scripts/install_aiida.sh
Original file line number Diff line number Diff line change
Expand Up @@ -13,6 +13,7 @@ apt-get install -y --no-install-recommends \
python-pip \
python-dev \
postgresql \
rabbitmq-server \
sudo \
ssh
rm -rf /var/lib/apt/lists/*
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5 changes: 4 additions & 1 deletion tools/docker/scripts/test_aiida.sh
Original file line number Diff line number Diff line change
Expand Up @@ -20,7 +20,10 @@ chmod +x /usr/bin/cp2k
echo -e "\n========== Installing AiiDA-CP2K plugin =========="
cd /opt/
git clone https://github.com/cp2k/aiida-cp2k.git
pip install ./aiida-cp2k/
pip install ./aiida-cp2k/[pre-commit]

# workaround for dependency chain in 1.0.0b1
pip install 'topika==0.1.3'

echo -e "\n========== Configuring AiiDA =========="
for i in $(dirname "$(which mpirun)")/* ; do ln -sf "$i" /usr/bin/; done
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