diff --git a/build.json b/build.json index 8fa7bc04..06f2311c 100644 --- a/build.json +++ b/build.json @@ -15,6 +15,9 @@ "AIIDALAB_VERSION": { "default": "24.09.0" }, + "AWB_VERSION": { + "default": "2.3.0a2" + }, "AIIDALAB_HOME_VERSION": { "default": "24.09.0" } diff --git a/docker-bake.hcl b/docker-bake.hcl index a5e3e697..27d2c6c5 100644 --- a/docker-bake.hcl +++ b/docker-bake.hcl @@ -17,6 +17,9 @@ variable "AIIDA_VERSION" { variable "AIIDALAB_VERSION" { } +variable "AWB_VERSION" { +} + variable "AIIDALAB_HOME_VERSION" { } @@ -88,6 +91,7 @@ target "lab" { platforms = "${PLATFORMS}" args = { "AIIDALAB_VERSION" = "${AIIDALAB_VERSION}" + "AWB_VERSION" = "${AWB_VERSION}" "AIIDALAB_HOME_VERSION" = "${AIIDALAB_HOME_VERSION}" "PYTHON_MINOR_VERSION" = get_python_minor_version("${PYTHON_VERSION}") } diff --git a/stack/base/Dockerfile b/stack/base/Dockerfile index 0cd4c2d4..b5e6a8a1 100644 --- a/stack/base/Dockerfile +++ b/stack/base/Dockerfile @@ -5,19 +5,18 @@ LABEL maintainer="AiiDAlab Team " USER root -# build-essential: includes GCC compilers that are needed when building -# pip packages from sources, which often seems to happen for pymatgen: -# https://pymatgen.org/installation.html#installation-tips-for-optional-libraries # rsync: needed to support the new AiiDA backup command # povray: rendering engine used in aiidalab-widgets-base -ENV EXTRA_APT_PACKAGES "curl povray rsync build-essential" +ENV EXTRA_APT_PACKAGES "curl povray rsync" # For ARM64 we need to install erlang as it is not available on conda-forge # (this is needed later as rabbitmq dependency in base-with-services image, # but we install it here so that we don't have to invoke apt multiple times. +# We also install build-essential, which includes GCC compilers that are needed when building +# pip packages from sources, which is more often needed on ARM64 ARG TARGETARCH RUN if [ "$TARGETARCH" = "arm64" ]; then \ - EXTRA_APT_PACKAGES="erlang libhdf5-serial-dev pkg-config ${EXTRA_APT_PACKAGES}"; \ + EXTRA_APT_PACKAGES="erlang build-essential libhdf5-serial-dev pkg-config ${EXTRA_APT_PACKAGES}"; \ fi;\ apt-get update --yes && \ apt-get install --yes --no-install-recommends ${EXTRA_APT_PACKAGES} && \ @@ -51,7 +50,7 @@ COPY pip.conf /etc/pip.conf # Install aiida-core and other shared requirements. RUN mamba update -y pip mamba zstandard async_generator certipy && \ mamba install --yes \ - aiida-core==${AIIDA_VERSION} \ + aiida-core.atomic_tools==${AIIDA_VERSION} \ mamba-bash-completion \ && mamba clean --all -f -y && \ fix-permissions "${CONDA_DIR}" diff --git a/stack/lab/Dockerfile b/stack/lab/Dockerfile index 0c2d29cd..e5e28eae 100644 --- a/stack/lab/Dockerfile +++ b/stack/lab/Dockerfile @@ -13,10 +13,11 @@ ENV DOCKER_STACKS_JUPYTER_CMD=notebook USER root WORKDIR /opt/ -# Install aiidalab package ARG AIIDALAB_VERSION +ARG AWB_VERSION RUN mamba install --yes \ aiidalab=${AIIDALAB_VERSION} \ + aiidalab-widgets-base=${AWB_VERSION} \ && mamba clean --all -f -y && \ fix-permissions "${CONDA_DIR}" && \ fix-permissions "/home/${NB_USER}"