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Install aiida-core[atomic_tools]
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stack/base/Dockerfile

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@@ -10,14 +10,14 @@ USER root
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# https://pymatgen.org/installation.html#installation-tips-for-optional-libraries
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# rsync: needed to support the new AiiDA backup command
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# povray: rendering engine used in aiidalab-widgets-base
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ENV EXTRA_APT_PACKAGES "curl rsync build-essential"
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ENV EXTRA_APT_PACKAGES "curl rsync"
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# For ARM64 we need to install erlang as it is not available on conda-forge
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# (this is needed later as rabbitmq dependency in base-with-services image,
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# but we install it here so that we don't have to invoke apt multiple times.
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ARG TARGETARCH
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RUN if [ "$TARGETARCH" = "arm64" ]; then \
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EXTRA_APT_PACKAGES="erlang libhdf5-serial-dev pkg-config ${EXTRA_APT_PACKAGES}"; \
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EXTRA_APT_PACKAGES="erlang build-essentials libhdf5-serial-dev pkg-config ${EXTRA_APT_PACKAGES}"; \
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fi;\
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apt-get update --yes && \
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apt-get install --yes --no-install-recommends ${EXTRA_APT_PACKAGES} && \
@@ -48,7 +48,7 @@ ENV PIP_USER 1
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# Install aiida-core and other shared requirements.
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RUN mamba update -y pip zstandard && \
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mamba install --yes \
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aiida-core==${AIIDA_VERSION} \
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aiida-core.atomic_tools==${AIIDA_VERSION} \
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mamba-bash-completion \
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&& mamba clean --all -f -y && \
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fix-permissions "${CONDA_DIR}" && \

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