apptainer/lib/install_champ.sh

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#!/bin/bash -e
cd /opt
source environment.sh
ln -s /usr/bin/python3 /usr/bin/python
# Install dependencies
# --------------------
apt install -y cmake python3 git make gcc g++
git clone --depth=1 https://github.com/filippi-claudia/champ.git
cd champ
cmake -S. -Bbuild \
-DCMAKE_Fortran_COMPILER="mpiifort" \
-DENABLE_TREXIO=ON \
-DENABLE_QMCKL=ON
cmake --build build -j 8
rm -rf compile-* docs tests build lib
# Test
ls bin/vmc.mov1 || exit 1
ls bin/dmc.mov1 || exit 1