Update dependencies for aiida-2.x (#277)

* Update base aiida-core image to 2.0.3
* Update aiidalab to v22.08.0
* Update aiidalab-home to v22.08.0
* Remove reentry runs, as they are not needed for aiida-2.x

Dockerfile

@@ -1,4 +1,4 @@
-FROM aiidateam/aiida-core:1.6.9
+FROM aiidateam/aiida-core:2.0.3
 
 LABEL maintainer="AiiDAlab Team <[email protected]>"
 
@@ -87,12 +87,11 @@ RUN conda install --yes -c conda-forge \
  rdkit==2021.09.2 \
  && conda clean --all
 
-# Install AiiDAlab Python packages into user conda environment and populate reentry cache.
+# Install AiiDAlab Python packages into user conda environment.
 COPY requirements.txt .
 ARG extra_requirements
 RUN pip install --upgrade pip
 RUN pip install -r requirements.txt $extra_requirements
-RUN reentry scan
 
 # Configure pip to use requirements file as constraints file.
 RUN conda env config vars set PIP_CONSTRAINT=/opt/requirements.txt
@@ -110,7 +109,7 @@ COPY opt/prepare-aiidalab.sh /opt/
 COPY my_init.d/prepare-aiidalab.sh /etc/my_init.d/80_prepare-aiidalab.sh
 
 # Install the aiidalab-home app.
-ARG aiidalab_home_version=v22.01.0
+ARG aiidalab_home_version=v22.08.0
 RUN git clone https://github.com/aiidalab/aiidalab-home && cd aiidalab-home && git checkout $aiidalab_home_version
 RUN chmod 774 aiidalab-home
 

opt/prepare-aiidalab.sh

@@ -73,9 +73,6 @@ if [[ ${INITIAL_SETUP} == 1 ]]; then
  done
 fi
 
-# Update reentry.
-reentry scan
-
 # Clear user trash directory.
 if [ -e /home/${SYSTEM_USER}/.trash ]; then
  rm -rf /home/${SYSTEM_USER}/.trash/*

requirements.txt

@@ -1,4 +1,4 @@
-aiidalab==22.7.1
+aiidalab==22.8.0
 aiidalab-widgets-base~=1.3.4
 binaryornot~=0.4
 bokeh~=2.0