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make patch_n2v guess paths

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Gaspard Jankowiak 2024-02-26 13:25:43 +01:00
parent 03d1eb4514
commit f9c4a894aa
1 changed files with 19 additions and 0 deletions
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19
patch_n2v.sh
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@ -1,5 +1,15 @@
#!/bin/bash #!/bin/bash
set -e
if [[ -z "$CONDA_PREFIX" ]]; then
echo "You do not seem to have an active conda environment active, aborting"
exit 1
fi
PYTHON_VERSION=$(python --version | sed -e 's/.* \([0-9]\.[0-9]\{2\}\).*/\1/')
echo "Detected python v$PYTHON_VERSION"
N2V_DIR="$CONDA_PREFIX/lib/python$PYTHON_VERSION/site-packages/n2v"
case $1 in case $1 in
r | reset) r | reset)
echo "Unpatching n2v" echo "Unpatching n2v"
@ -7,12 +17,21 @@ r | reset)
cp -v n2v.bak/inverter.py n2v/inverter.py cp -v n2v.bak/inverter.py n2v/inverter.py
cp -v n2v.bak/methods/zmp.py n2v/methods/zmp.py cp -v n2v.bak/methods/zmp.py n2v/methods/zmp.py
cp -v n2v.bak/grid/grider.py n2v/grid/grider.py cp -v n2v.bak/grid/grider.py n2v/grid/grider.py
echo "Success"
;; ;;
*) *)
echo "Patching n2v" echo "Patching n2v"
if [[ ! -d n2v.bak ]]; then
echo "Backing up n2v ..."
cp -v -r $N2V_DIR n2v.bak
echo "Done"
echo
fi
cp -v n2v.patched/engines/psi4.py n2v/engines/psi4.py cp -v n2v.patched/engines/psi4.py n2v/engines/psi4.py
cp -v n2v.patched/inverter.py n2v/inverter.py cp -v n2v.patched/inverter.py n2v/inverter.py
cp -v n2v.patched/methods/zmp.py n2v/methods/zmp.py cp -v n2v.patched/methods/zmp.py n2v/methods/zmp.py
cp -v n2v.patched/grid/grider.py n2v/grid/grider.py cp -v n2v.patched/grid/grider.py n2v/grid/grider.py
echo "Success"
;; ;;
esac esac