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use new base full-stack image
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unkcpz committed Sep 20, 2024
1 parent 36ea854 commit bc2b322
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4 changes: 2 additions & 2 deletions Dockerfile
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# syntax=docker/dockerfile:1
ARG FULL_STACK_VER=2024.1022
ARG FULL_STACK_VER=2024.1023
ARG UV_VER=0.4.7
ARG QE_VER=7.2
ARG QE_DIR=/opt/conda/envs/quantum-espresso-${QE_VER}
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RUN --mount=from=qe_conda_env,source=${QE_DIR},target=${QE_DIR} \
bash /usr/local/bin/before-notebook.d/20_start-postgresql.sh && \
bash /usr/local/bin/before-notebook.d/40_prepare-aiida.sh && \
bash /usr/local/bin/before-notebook.d/41_setup-hq-computer.sh && \
bash /usr/local/bin/before-notebook.d/42_setup-hq-computer.sh && \
python -m aiidalab_qe install-qe --computer ${HQ_COMPUTER} && \
python -m aiidalab_qe install-pseudos --source ${PSEUDO_FOLDER} && \
verdi daemon stop && \
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