apptainer/lib/install_champ.sh

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#!/bin/bash
source environment.sh
cd /opt
# Install dependencies
# --------------------
apt install -y cmake python3 git \
make m4 mlocate autotools-dev pkg-config \
vim emacs-nox
ln -s /usr/bin/python3 /usr/bin/python
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
# Clean up
# --------
rm -rf compile-* docs tests build lib
apt remove -y intel-oneapi-compiler-dpcpp-cpp \
intel-oneapi-compiler-fortran \
intel-oneapi-mpi-devel \
wget git gcc gfortran
apt autoremove -y
apt purge -y --auto-remove
rm -rf /var/lib/apt/lists/*