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Update Dockerfile (#1282)
* Update Dockerfile * Update Dockerfile install scipy from conda and spglib 2.5.0 * Update Dockerfile
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Dockerfile

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@@ -136,6 +136,7 @@ RUN --mount=from=qe_conda_env,source=${QE_DIR},target=${QE_DIR} \
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aiida-pseudo install sssp -v 1.1 -x PBE && \
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aiida-pseudo install sssp -v 1.1 -x PBEsol && \
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verdi daemon stop && \
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pip install spglib==2.5.0 && \
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mamba run -n aiida-core-services pg_ctl stop && \
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touch /home/${NB_USER}/.FLAG_HOME_INITIALIZED && \
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# NOTE: The work folder is empty but if included clashes with the work folder in a Renku
@@ -172,7 +173,8 @@ RUN --mount=from=uv,source=/uv,target=/bin/uv \
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# Install plugins in the final image
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RUN pip install aiida-bader \
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git+https://github.com/mikibonacci/aiidalab-qe-vibroscopy@v1.2.0 \
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git+https://github.com/mikibonacci/aiidalab-qe-muon@v1.0.0
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git+https://github.com/mikibonacci/aiidalab-qe-muon@v1.0.0 && \
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conda install scipy==1.13.1 --y
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# copy hq binary
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COPY --from=home_build /opt/conda/hq /usr/local/bin/

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