2024-04-11 11:23:49 +02:00
|
|
|
BootStrap: docker
|
|
|
|
From: ubuntu:22.04
|
|
|
|
|
|
|
|
%labels
|
|
|
|
Author scemama@irsamc.ups-tlse.fr
|
|
|
|
|
|
|
|
%help
|
|
|
|
Container for running CHAMP.
|
|
|
|
|
|
|
|
%environment
|
|
|
|
export LANG="C"
|
|
|
|
export LANGUAGE=$LANG
|
|
|
|
export LC_ALL=$LANG
|
2024-04-11 12:03:02 +02:00
|
|
|
export OMP_NUM_THREADS=1
|
2024-04-11 11:23:49 +02:00
|
|
|
|
|
|
|
%setup
|
2024-04-11 12:09:59 +02:00
|
|
|
mkdir -p ${APPTAINER_ROOTFS}/opt/install
|
|
|
|
cp environment.sh ${APPTAINER_ROOTFS}/opt/
|
|
|
|
cp champ.def \
|
|
|
|
../lib/setup_image.sh \
|
|
|
|
../lib/install_champ.sh \
|
|
|
|
../lib/install_qmckl.sh \
|
|
|
|
../lib/install_trexio.sh \
|
|
|
|
../lib/install_trexio_python.sh \
|
|
|
|
../lib/install_oneapi.sh \
|
|
|
|
${APPTAINER_ROOTFS}/opt/install
|
2024-04-11 11:23:49 +02:00
|
|
|
|
|
|
|
%post
|
|
|
|
cd /opt/install
|
|
|
|
./setup_image.sh
|
|
|
|
./install_oneapi.sh
|
2024-04-11 12:03:02 +02:00
|
|
|
./install_trexio.sh
|
|
|
|
./install_trexio_python.sh
|
|
|
|
./install_qmckl.sh
|
|
|
|
./install_champ.sh
|
2024-04-11 11:23:49 +02:00
|
|
|
|
2024-04-11 12:03:02 +02:00
|
|
|
./cleanup_oneapi.sh
|
2024-04-11 11:23:49 +02:00
|
|
|
|
|
|
|
apt autoremove -y
|
|
|
|
apt purge -y --auto-remove
|
|
|
|
rm -rf /var/lib/apt/lists/*
|
2024-04-11 12:03:02 +02:00
|
|
|
|