apptainer/lib/install_champ.sh

#!/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
echo "-march=core-avx2" >> /opt/ifort.cfg
echo "-march=core-avx2" >> /opt/icx.cfg

cmake -S. -Bbuild \
    -DCMAKE_Fortran_COMPILER="mpiifort" \
    -DENABLE_TREXIO=ON \
    -DENABLE_QMCKL=ON \
    -DVECTORIZATION="avx2"

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