diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index be5469ba..9a22ee95 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -5,7 +5,7 @@ ci: repos: - repo: https://github.com/pre-commit/pre-commit-hooks - rev: v4.6.0 + rev: v5.0.0 hooks: - id: check-json - id: end-of-file-fixer @@ -18,14 +18,14 @@ repos: args: [--preserve-quotes] - repo: https://github.com/astral-sh/ruff-pre-commit - rev: v0.5.0 + rev: v0.6.9 hooks: - id: ruff-format - id: ruff args: [--fix, --exit-non-zero-on-fix, --show-fixes] - repo: https://github.com/python-jsonschema/check-jsonschema - rev: "0.28.6" + rev: "0.29.3" hooks: - id: check-dependabot - id: check-github-workflows diff --git a/bumpver.toml b/bumpver.toml index e31c45a4..c22ef616 100644 --- a/bumpver.toml +++ b/bumpver.toml @@ -1,5 +1,5 @@ [bumpver] -current_version = "v2024.1022" +current_version = "v2024.1023" version_pattern = "vYYYY.BUILD[-TAG]" commit_message = "Bump version {old_version} -> {new_version}." commit = true diff --git a/stack/base/Dockerfile b/stack/base/Dockerfile index 0cd4c2d4..5b820da1 100644 --- a/stack/base/Dockerfile +++ b/stack/base/Dockerfile @@ -10,7 +10,8 @@ USER root # 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" +# bc: needed to compute the resources for computer setup +ENV EXTRA_APT_PACKAGES "curl povray rsync build-essential bc" # 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, diff --git a/stack/base/before-notebook.d/40_prepare-aiida.sh b/stack/base/before-notebook.d/40_prepare-aiida.sh index d3d97643..48f4043f 100755 --- a/stack/base/before-notebook.d/40_prepare-aiida.sh +++ b/stack/base/before-notebook.d/40_prepare-aiida.sh @@ -80,6 +80,3 @@ else verdi storage migrate --force fi - -# Daemon will start only if the database exists and is migrated to the latest version. -verdi daemon start || echo "ERROR: AiiDA daemon is not running!" diff --git a/stack/base/before-notebook.d/90_start_aiida_daemon.sh b/stack/base/before-notebook.d/90_start_aiida_daemon.sh new file mode 100644 index 00000000..c3485a33 --- /dev/null +++ b/stack/base/before-notebook.d/90_start_aiida_daemon.sh @@ -0,0 +1,9 @@ +#!/bin/bash + +# This script is executed whenever the docker container is (re)started. +set -x + +export SHELL=/bin/bash + +# Daemon will start only if the database exists and is migrated to the latest version. +verdi daemon start || echo "ERROR: AiiDA daemon is not running!"