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Install aiida-core[atomic_tools]
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danielhollas committed Jul 21, 2024
1 parent 0d5bbb5 commit 45ca352
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6 changes: 3 additions & 3 deletions stack/base/Dockerfile
Original file line number Diff line number Diff line change
Expand Up @@ -10,14 +10,14 @@ USER root
# https://pymatgen.org/installation.html#installation-tips-for-optional-libraries
# rsync: needed to support the new AiiDA backup command
# povray: rendering engine used in aiidalab-widgets-base
ENV EXTRA_APT_PACKAGES "curl rsync build-essential"
ENV EXTRA_APT_PACKAGES "curl rsync"

# For ARM64 we need to install erlang as it is not available on conda-forge
# (this is needed later as rabbitmq dependency in base-with-services image,
# but we install it here so that we don't have to invoke apt multiple times.
ARG TARGETARCH
RUN if [ "$TARGETARCH" = "arm64" ]; then \
EXTRA_APT_PACKAGES="erlang libhdf5-serial-dev pkg-config ${EXTRA_APT_PACKAGES}"; \
EXTRA_APT_PACKAGES="erlang build-essentials libhdf5-serial-dev pkg-config ${EXTRA_APT_PACKAGES}"; \
fi;\
apt-get update --yes && \
apt-get install --yes --no-install-recommends ${EXTRA_APT_PACKAGES} && \
Expand Down Expand Up @@ -48,7 +48,7 @@ ENV PIP_USER 1
# Install aiida-core and other shared requirements.
RUN mamba update -y pip zstandard && \
mamba install --yes \
aiida-core==${AIIDA_VERSION} \
aiida-core.atomic_tools==${AIIDA_VERSION} \
mamba-bash-completion \
&& mamba clean --all -f -y && \
fix-permissions "${CONDA_DIR}" && \
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