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Docker: Fix AiiDA test
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1 changed files with 1 additions and 4 deletions
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@ -20,10 +20,7 @@ chmod +x /usr/bin/cp2k
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echo -e "\n========== Installing AiiDA-CP2K plugin =========="
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cd /opt/
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git clone --quiet https://github.com/cp2k/aiida-cp2k.git
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pip install --quiet ./aiida-cp2k/[pre-commit]
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# workaround for dependency chain in 1.0.0b1
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pip install --quiet 'topika==0.1.3'
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pip install --quiet ./aiida-cp2k/[pre-commit,test]
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echo -e "\n========== Configuring AiiDA =========="
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for i in $(dirname "$(which mpirun)")/* ; do ln -sf "$i" /usr/bin/; done
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