From 6481bf5ae463623e3804b0210b0f8c6e15dfabb3 Mon Sep 17 00:00:00 2001 From: Jusong Yu Date: Mon, 16 Sep 2024 21:06:48 +0200 Subject: [PATCH 1/4] Add bc for computing resources required by qeapp image (#499) --- stack/base/Dockerfile | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/stack/base/Dockerfile b/stack/base/Dockerfile index 6f035fad..d8167370 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, From 9436caead7e3036c319a4b3d535a0537ca5a7c02 Mon Sep 17 00:00:00 2001 From: Jusong Yu Date: Tue, 17 Sep 2024 10:38:15 +0200 Subject: [PATCH 2/4] Move daemon start after so more computer setup can be added by children images (#500) * Move daemon start after so more computer setup can be added by children images * Rename to 90_start_aiida_daemon.sh in case where after daemon script required --- stack/base/before-notebook.d/40_prepare-aiida.sh | 3 --- stack/base/before-notebook.d/90_start_aiida_daemon.sh | 9 +++++++++ 2 files changed, 9 insertions(+), 3 deletions(-) create mode 100644 stack/base/before-notebook.d/90_start_aiida_daemon.sh 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!" From c1e85a89ffef4ab3857b730473d8b33cd3961fa5 Mon Sep 17 00:00:00 2001 From: Jusong Yu Date: Wed, 18 Sep 2024 15:07:00 +0200 Subject: [PATCH 3/4] Bump version v2024.1022 -> v2024.1023. --- bumpver.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) 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 From a2d73d54afdfcd22cee4b07e8e328a45fa5d4634 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue, 8 Oct 2024 09:52:35 +0800 Subject: [PATCH 4/4] [pre-commit.ci] pre-commit autoupdate (#503) MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit updates: - [github.com/pre-commit/pre-commit-hooks: v4.6.0 → v5.0.0](https://github.com/pre-commit/pre-commit-hooks/compare/v4.6.0...v5.0.0) - [github.com/astral-sh/ruff-pre-commit: v0.5.0 → v0.6.9](https://github.com/astral-sh/ruff-pre-commit/compare/v0.5.0...v0.6.9) - [github.com/python-jsonschema/check-jsonschema: 0.28.6 → 0.29.3](https://github.com/python-jsonschema/check-jsonschema/compare/0.28.6...0.29.3) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> --- .pre-commit-config.yaml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) 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