Release 0.5.0 (#40)

aiidateam · Jun 27, 2022 · e2cb28b · e2cb28b
2 parents 40e13ce + b608ac8
commit e2cb28b
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Showing 6 changed files with 33 additions and 30 deletions.
diff --git a/.github/workflows/build_and_test_on_pr.yml b/.github/workflows/build_and_test_on_pr.yml
@@ -52,7 +52,7 @@ jobs:
           export DOCKERID=`docker run -v $PWD/tmp:/home/aiida -d aiida-prerequisites:latest`
           docker exec --tty --user root $DOCKERID wait-for-services
           docker exec --tty --user aiida $DOCKERID wait-for-services
-          docker exec --tty --user aiida $DOCKERID /bin/bash -l -c '/usr/lib/postgresql/12/bin/pg_ctl -D /home/$SYSTEM_USER/.postgresql status' # Check that postgres is up.
+          docker exec --tty --user aiida $DOCKERID /bin/bash -l -c '/usr/lib/postgresql/14/bin/pg_ctl -D /home/$SYSTEM_USER/.postgresql status' # Check that postgres is up.
           docker exec --tty --user root $DOCKERID /bin/bash -l -c 'service rabbitmq-server status' # Check that rabbitmq is up.
           docker exec --tty --user aiida $DOCKERID /bin/bash -l -c 'conda create -y -n test_env python=3.8' # Check that one can create a new conda environment.
           docker exec --tty --user aiida $DOCKERID /bin/bash -l -c 'conda activate test_env' # Check that new environment works.

diff --git a/.github/workflows/push_to_dockerhub.yml b/.github/workflows/push_to_dockerhub.yml
@@ -48,4 +48,5 @@ jobs:
         uses: docker/build-push-action@v2
         with:
           push: true
+          platforms: linux/amd64,linux/arm64
           tags: ${{ steps.meta.outputs.tags }}
diff --git a/Dockerfile b/Dockerfile
@@ -1,7 +1,7 @@
 # See https://github.com/phusion/baseimage-docker/blob/master/Changelog.md
 # Based on Ubuntu 20.04
-FROM phusion/baseimage:focal-1.1.0
-MAINTAINER AiiDA Team
+FROM phusion/baseimage:jammy-1.0.0
+LABEL maintainer="AiiDA Team"
 
 # Use the following arguments during *build* time:
 # $ docker build  --build-arg NB_UID=200
@@ -14,7 +14,6 @@ ARG NB_GID="1000"
 ENV SYSTEM_USER ${NB_USER}
 ENV SYSTEM_USER_UID ${NB_UID}
 ENV SYSTEM_USER_GID ${NB_GID}
-ENV PYTHONPATH /home/$SYSTEM_USER
 ENV CONDA_DIR /opt/conda
 ENV PATH $CONDA_DIR/bin:$PATH
 
@@ -24,7 +23,6 @@ ENV PATH $CONDA_DIR/bin:$PATH
 ENV PYTHON_VERSION py38
 ENV CONDA_VERSION 4.10.3
 ENV MINICONDA_VERSION ${PYTHON_VERSION}_${CONDA_VERSION}
-ENV MINICONDA_SHA256 935d72deb16e42739d69644977290395561b7a6db059b316958d97939e9bdf3d
 
 # Always activate /etc/profile, otherwise conda won't work.
 ENV BASH_ENV /etc/profile
@@ -37,17 +35,14 @@ ENV LC_ALL en_US.UTF-8
 ENV LANG en_US.UTF-8
 ENV LANGUAGE en_US.UTF-8
 
-# Add switch mirror to fix the issue.
-# https://github.com/aiidalab/aiidalab-docker-stack/issues/9
-RUN echo "deb http://mirror.switch.ch/ftp/mirror/ubuntu/ bionic main \ndeb-src http://mirror.switch.ch/ftp/mirror/ubuntu/ bionic main \n" >> /etc/apt/sources.list
-
 # Install debian packages.
 # Note: prefix all 'apt-get install' lines with 'apt-get update' to prevent failures in partial rebuilds
 RUN apt-get clean && rm -rf /var/lib/apt/lists/*
 RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
     tzdata
 
 # Install required ubuntu packages.
+# The libpq-dev is needed for arm64 to pypi build psycopg2-binary in aiida-core
 RUN apt-get update && apt-get install -y --no-install-recommends  \
     build-essential       \
     bzip2                 \
@@ -66,32 +61,38 @@ RUN apt-get update && apt-get install -y --no-install-recommends  \
     vim                   \
     wget                  \
     zip                   \
+    libpq-dev             \
   && rm -rf /var/lib/apt/lists/* \
   && apt-get clean all
 
 # Install conda.
 RUN cd /tmp && \
-    wget --quiet https://repo.continuum.io/miniconda/Miniconda3-${MINICONDA_VERSION}-Linux-x86_64.sh && \
-    echo "${MINICONDA_SHA256} *Miniconda3-${MINICONDA_VERSION}-Linux-x86_64.sh" | sha256sum -c - && \
-    /bin/bash Miniconda3-${MINICONDA_VERSION}-Linux-x86_64.sh -f -b -p $CONDA_DIR && \
-    rm Miniconda3-${MINICONDA_VERSION}-Linux-x86_64.sh && \
-    echo "conda ${CONDA_VERSION}" >> $CONDA_DIR/conda-meta/pinned && \
-    conda config --system --prepend channels conda-forge && \
-    conda config --system --set auto_update_conda false && \
-    conda config --system --set show_channel_urls true && \
-    conda list python | grep '^python ' | tr -s ' ' | cut -d '.' -f 1,2 | sed 's/$/.*/' >> $CONDA_DIR/conda-meta/pinned && \
-    conda install --quiet --yes conda && \
-    conda install --quiet --yes pip && \
-    conda update --all --quiet --yes && \
+    export ARCH=`uname -m` && \
+    if [ "$ARCH" = "x86_64" ]; then \
+       echo "x86_64" && \
+       export MINICONDA_ARCH=x86_64 && \
+       export MINICONDA_SHA256=935d72deb16e42739d69644977290395561b7a6db059b316958d97939e9bdf3d; \
+    elif [ "$ARCH" = "aarch64" ]; then \
+       echo "aarch64" && \
+       export MINICONDA_ARCH=aarch64 && \
+       export MINICONDA_SHA256=19584b4fb5c0656e0cf9de72aaa0b0a7991fbd6f1254d12e2119048c9a47e5cc; \
+    else \
+       echo "unknown arch"; \
+    fi && \
+    wget --quiet https://repo.continuum.io/miniconda/Miniconda3-${MINICONDA_VERSION}-Linux-${MINICONDA_ARCH}.sh && \
+    echo "${MINICONDA_SHA256} *Miniconda3-${MINICONDA_VERSION}-Linux-${MINICONDA_ARCH}.sh" | sha256sum -c - && \
+    /bin/bash Miniconda3-${MINICONDA_VERSION}-Linux-${MINICONDA_ARCH}.sh -f -b -p $CONDA_DIR && \
+    rm Miniconda3-${MINICONDA_VERSION}-Linux-${MINICONDA_ARCH}.sh && \
+    echo "conda ${CONDA_VERSION}" >> $CONDA_DIR/conda-meta/pinned  && \
+    conda config --system --prepend channels conda-forge  && \
+    conda config --system --set auto_update_conda false  && \
+    conda config --system --set show_channel_urls true  && \
+    conda list python | grep '^python ' | tr -s ' ' | cut -d '.' -f 1,2 | sed 's/$/.*/' >> $CONDA_DIR/conda-meta/pinned  && \
+    conda install --quiet --yes conda  && \
+    conda install --quiet --yes pip  && \
+    conda update --all --quiet --yes  && \
     conda clean --all -f -y
 
-# Upgrade ruamel.py version. Fixes https://github.com/aiidateam/aiida-core/issues/4339.
-# Note: miniconda 4.10.3 installs 0.15.80 by default
-RUN conda install ruamel.yaml==0.16.10
-
-# This is needed to let non-root users create conda environments.
-RUN touch /opt/conda/pkgs/urls.txt
-
 # Copy the script load-singlesshagent.sh to /usr/local/bin.
 COPY bin/load-singlesshagent.sh /usr/local/bin/load-singlesshagent.sh
 

diff --git a/README.md b/README.md
@@ -41,7 +41,6 @@ The following environment variables can be set during container *startup*:
 ENV SYSTEM_USER ${NB_USER}
 ENV SYSTEM_USER_UID ${NB_UID}
 ENV SYSTEM_USER_GID ${NB_GID}
-ENV PYTHONPATH /home/$SYSTEM_USER
 ```
 
 To modify their value do the following:

diff --git a/my_init.d/create-system-user.sh b/my_init.d/create-system-user.sh
@@ -14,6 +14,8 @@ fi
 # Always make sure that /home/${SYSTEM_USER} folder is owned by ${SYSTEM_USER}.
 chown ${SYSTEM_USER}:${SYSTEM_USER} /home/${SYSTEM_USER}
 
+# make sure current user does have write permissions to conda path
+chown ${SYSTEM_USER}:${SYSTEM_USER} ${CONDA_DIR}
 
 # Add .bashrc file to the $SYSTEM_USER's home folder.
 if [[ ! -f /home/${SYSTEM_USER}/.bashrc ]]; then

diff --git a/opt/start-postgres.sh b/opt/start-postgres.sh
@@ -1,6 +1,6 @@
 #!/bin/bash
 
-PGSQL_VERSION=12
+PGSQL_VERSION=14
 PGBIN=/usr/lib/postgresql/${PGSQL_VERSION}/bin
 
 # -w waits until server is up