56 lines
1.2 KiB
Modula-2
56 lines
1.2 KiB
Modula-2
BootStrap: docker
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From: ubuntu:22.04
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%labels
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Author scemama@irsamc.ups-tlse.fr
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%help
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Container for running CHAMP.
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%environment
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export LANG="C"
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export LANGUAGE=$LANG
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export LC_ALL=$LANG
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export OMP_NUM_THREADS=1
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%setup
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mkdir -p ${APPTAINER_ROOTFS}/opt/install
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cp environment.sh ${APPTAINER_ROOTFS}/opt/
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cp champ.def \
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../lib/setup_image.sh \
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../lib/install_champ.sh \
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../lib/install_qmckl.sh \
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../lib/install_trexio.sh \
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../lib/install_trexio_python.sh \
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../lib/install_oneapi.sh \
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../lib/cleanup_oneapi.sh \
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${APPTAINER_ROOTFS}/opt/install
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%post
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cd /opt/install
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./setup_image.sh
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./install_oneapi.sh
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./install_trexio.sh
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./install_trexio_python.sh
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./install_qmckl.sh
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./install_champ.sh
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./cleanup_oneapi.sh
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apt remove -y wget make pkg-config pgpgpg git python3-pip cmake libhdf5-dev
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apt install -y bash vim emacs-nox
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apt autoremove -y
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apt purge -y --auto-remove
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rm -rf /var/lib/apt/lists/*
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echo source /opt/environment.sh >> /etc/bash.bashrc
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%runscript
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exec /bin/bash "$@"
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%test
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ls /opt/champ/bin/vmc.mov1 || exit 1
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ls /opt/champ/bin/dmc.mov1 || exit 1
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