diff --git a/aiida/.gitignore b/aiida/.gitignore index 203659a..41af29c 100644 --- a/aiida/.gitignore +++ b/aiida/.gitignore @@ -336,5 +336,3 @@ tags .renku.lock .renku/tmp .renku/cache - -aiida_config.yaml diff --git a/aiida/Dockerfile b/aiida/Dockerfile index 5019fce..380bad1 100644 --- a/aiida/Dockerfile +++ b/aiida/Dockerfile @@ -16,21 +16,24 @@ RUN apt-get update && \ USER ${NB_USER} # install the python dependencies -COPY requirements.txt environment.yml /tmp/ +COPY environment.yml /tmp/ RUN mamba env update -q -f /tmp/environment.yml RUN /opt/conda/bin/pip install --upgrade pip && \ - /opt/conda/bin/pip install -r /tmp/requirements.txt && \ conda clean -y --all && \ conda env export -n "root" +RUN pip install --upgrade pip + +RUN pip install aiida-core~=2.5 + # RENKU_VERSION determines the version of the renku CLI # that will be used in this image. To find the latest version, # visit https://pypi.org/project/renku/#history. -ARG RENKU_VERSION={{ __renku_version__ | default("2.9.1") }} +# ARG RENKU_VERSION={{ __renku_version__ | default("2.9.1") }} # For local build -# ARG RENKU_VERSION="2.9.1" +ARG RENKU_VERSION="2.9.1" ######################################################## # Do not edit this section and do not add anything below diff --git a/aiida/environment.yml b/aiida/environment.yml index 588995f..9c61d4d 100644 --- a/aiida/environment.yml +++ b/aiida/environment.yml @@ -1,10 +1,6 @@ name: "base" channels: - conda-forge - - cjs14 dependencies: -# - aiida-core -- aiida-core.services -# while aiida-core.services requires rabbitmq-server>=3.7, for some reason version 3.6.15 is installed without the line below -# - rabbitmq-server>=3.8 +- aiida-core.services=2.2.2 prefix: "/opt/conda" diff --git a/aiida/post-init.sh b/aiida/post-init.sh index 37c07af..7ea4938 100755 --- a/aiida/post-init.sh +++ b/aiida/post-init.sh @@ -20,8 +20,9 @@ aiida_profile="aiida_renku" institution="RenkuLab" project_dir="$(pwd)" -repo_dir="${project_dir}/repo" +repo_dir="${project_dir}/aiida_data" mkdir "$repo_dir" +echo "$repo_dir" >> .gitignore # Export AIIDA_PATH environment variable export AIIDA_PATH=$repo_dir @@ -60,5 +61,5 @@ verdi profile setup core.sqlite_dos \ {% endif %} verdi config set warnings.rabbitmq_version False -echo "consumer_timeout = 36000000000" > /opt/conda/pkgs/rabbitmq-server-3.12.12-ha770c72_0/etc/rabbitmq/rabbitmq.conf +echo "consumer_timeout = 36000000000" > /opt/conda/pkgs/rabbitmq-server-3.13.1-ha770c72_0/etc/rabbitmq/rabbitmq.conf rabbitmq-server -detached diff --git a/aiida/requirements.txt b/aiida/requirements.txt deleted file mode 100644 index e4ab9f0..0000000 --- a/aiida/requirements.txt +++ /dev/null @@ -1 +0,0 @@ -aiida-core~=2.5 \ No newline at end of file