mirror of
https://github.com/cp2k/cp2k.git
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39 lines
810 B
Bash
Executable file
39 lines
810 B
Bash
Executable file
#!/bin/bash -e
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# author: Ole Schuett
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# install python packages
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apt-get update -qq
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apt-get install -qq --no-install-recommends \
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python3 \
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python3-dev \
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python3-pip \
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python3-wheel \
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python3-setuptools \
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build-essential
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rm -rf /var/lib/apt/lists/*
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# install python packages
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pip3 install --quiet numpy scipy matplotlib flask
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# clone ase reprository
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git clone --quiet --depth=1 --single-branch -b master https://gitlab.com/ase/ase.git /opt/ase
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# shellcheck disable=SC1091
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source /opt/cp2k-toolchain/install/setup
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# setup arch files
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cd /workspace/cp2k/arch
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ln -vs /opt/cp2k-toolchain/install/arch/local* .
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# pre-build cp2k
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cd /workspace/cp2k
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echo -n "Warming cache by trying to compile... "
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if make -j VERSION=pdbg &> /dev/null; then
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echo "done."
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else
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echo "failed."
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fi
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rm -rf lib exe
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#EOF
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