From 031c604459fd147dec61015b790e5d5b2283f4a7 Mon Sep 17 00:00:00 2001 From: Aliaksandr Yakutovich Date: Fri, 19 Aug 2022 16:02:27 +0200 Subject: [PATCH] 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 | 7 +++---- opt/prepare-aiidalab.sh | 3 --- requirements.txt | 2 +- 3 files changed, 4 insertions(+), 8 deletions(-) diff --git a/Dockerfile b/Dockerfile index 2e2a554e..31fc3e8d 100644 --- a/Dockerfile +++ b/Dockerfile @@ -1,4 +1,4 @@ -FROM aiidateam/aiida-core:1.6.9 +FROM aiidateam/aiida-core:2.0.3 LABEL maintainer="AiiDAlab Team " @@ -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 diff --git a/opt/prepare-aiidalab.sh b/opt/prepare-aiidalab.sh index 2a3e086b..54be40a5 100755 --- a/opt/prepare-aiidalab.sh +++ b/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/* diff --git a/requirements.txt b/requirements.txt index aee1d1f6..ade5ff62 100644 --- a/requirements.txt +++ b/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