37 lines
956 B
Bash
Executable file
37 lines
956 B
Bash
Executable file
#!/bin/bash
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set -e
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if [[ -z "$CONDA_PREFIX" ]]; then
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echo "You do not seem to have an active conda environment active, aborting"
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exit 1
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fi
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PYTHON_VERSION=$(python --version | sed -e 's/.* \([0-9]\.[0-9]\{2\}\).*/\1/')
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echo "Detected python v$PYTHON_VERSION"
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N2V_DIR="$CONDA_PREFIX/lib/python$PYTHON_VERSION/site-packages/n2v"
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case $1 in
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r | reset)
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echo "Unpatching n2v"
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cp -v n2v.bak/engines/psi4.py n2v/engines/psi4.py
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cp -v n2v.bak/inverter.py n2v/inverter.py
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cp -v n2v.bak/methods/zmp.py n2v/methods/zmp.py
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cp -v n2v.bak/grid/grider.py n2v/grid/grider.py
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echo "Success"
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;;
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*)
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echo "Patching n2v"
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if [[ ! -d n2v.bak ]]; then
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echo "Backing up n2v ..."
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cp -v -r $N2V_DIR n2v.bak
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echo "Done"
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echo
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fi
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cp -v n2v.patched/engines/psi4.py n2v/engines/psi4.py
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cp -v n2v.patched/inverter.py n2v/inverter.py
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cp -v n2v.patched/methods/zmp.py n2v/methods/zmp.py
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cp -v n2v.patched/grid/grider.py n2v/grid/grider.py
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echo "Success"
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;;
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esac
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