From 7a5f65841c56b623a14eeddb6389f5fb04075942 Mon Sep 17 00:00:00 2001 From: Aliaksandr Yakutovich Date: Wed, 8 Jun 2022 17:16:09 +0200 Subject: [PATCH 1/5] Switch to docker-compose approach. --- docker-compose.yaml | 62 +++++++++++++++++++++++++++++++++++++++++++++ 1 file changed, 62 insertions(+) create mode 100644 docker-compose.yaml diff --git a/docker-compose.yaml b/docker-compose.yaml new file mode 100644 index 0000000..4950d9a --- /dev/null +++ b/docker-compose.yaml @@ -0,0 +1,62 @@ +version: '3.4' + +services: + + database: + image: postgres:12.3 + container_name: aiida-database + environment: + POSTGRES_USER: pguser + POSTGRES_PASSWORD: password + #ports: + # - 5432:5432 # main port + volumes: + - "aiida-postgres-db:/var/lib/postgresql/data" + # optionally allow for query statistics logging + # command: postgres -c shared_preload_libraries=pg_stat_statements -c pg_stat_statements.track=all + restart: always + + messaging: + image: rabbitmq:3.8.3-management + container_name: aiida-rmq + environment: + RABBITMQ_DEFAULT_USER: guest + RABBITMQ_DEFAULT_PASS: guest + #ports: + # - 5672:5672 # main port + # - 15672:15672 # management access + volumes: + - "aiida-rmq-data:/var/lib/rabbitmq/" + # optional + # - "aiida-rmq-config:/etc/rabbitmq/" + # - "aiida-rmq-log:/var/log/rabbitmq/" + restart: always + + lab: + image: yakutovich/aiidalab:latest + container_name: aiidalab + environment: + RMQHOST: messaging + TZ: Europe/Zurich + DOCKER_STACKS_JUPYTER_CMD: notebook + volumes: + - "aiidalab-home-folder:/home/aiida" + # optional + # - "aiida-python-venv:/opt/venv" + # - "./.bash_history:/home/aiida/.bash_history" + # (make sure the .bash_history file is already created locally) + depends_on: + - database + - messaging + ports: + - 8888:8888 # main port + + +volumes: + aiida-postgres-db: + name: aiida-postgres-db + aiida-rmq-data: + name: aiida-rmq-data + aiidalab-home-folder: + name: aiidalab-home-folder + # aiida-python-venv: From c821702eb624595c42c7efa5af19be9e925b9882 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Wed, 8 Jun 2022 15:16:41 +0000 Subject: [PATCH 2/5] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- docker-compose.yaml | 77 +++++++++++++++++++++++---------------------- 1 file changed, 39 insertions(+), 38 deletions(-) diff --git a/docker-compose.yaml b/docker-compose.yaml index 4950d9a..47198d3 100644 --- a/docker-compose.yaml +++ b/docker-compose.yaml @@ -1,62 +1,63 @@ +--- version: '3.4' services: - database: - image: postgres:12.3 - container_name: aiida-database - environment: - POSTGRES_USER: pguser - POSTGRES_PASSWORD: password + database: + image: postgres:12.3 + container_name: aiida-database + environment: + POSTGRES_USER: pguser + POSTGRES_PASSWORD: password #ports: # - 5432:5432 # main port - volumes: - - "aiida-postgres-db:/var/lib/postgresql/data" + volumes: + - aiida-postgres-db:/var/lib/postgresql/data # optionally allow for query statistics logging # command: postgres -c shared_preload_libraries=pg_stat_statements -c pg_stat_statements.track=all - restart: always + restart: always - messaging: - image: rabbitmq:3.8.3-management - container_name: aiida-rmq - environment: - RABBITMQ_DEFAULT_USER: guest - RABBITMQ_DEFAULT_PASS: guest + messaging: + image: rabbitmq:3.8.3-management + container_name: aiida-rmq + environment: + RABBITMQ_DEFAULT_USER: guest + RABBITMQ_DEFAULT_PASS: guest #ports: # - 5672:5672 # main port # - 15672:15672 # management access - volumes: - - "aiida-rmq-data:/var/lib/rabbitmq/" + volumes: + - aiida-rmq-data:/var/lib/rabbitmq/ # optional # - "aiida-rmq-config:/etc/rabbitmq/" # - "aiida-rmq-log:/var/log/rabbitmq/" - restart: always + restart: always - lab: - image: yakutovich/aiidalab:latest - container_name: aiidalab - environment: - RMQHOST: messaging - TZ: Europe/Zurich - DOCKER_STACKS_JUPYTER_CMD: notebook - volumes: - - "aiidalab-home-folder:/home/aiida" + lab: + image: yakutovich/aiidalab:latest + container_name: aiidalab + environment: + RMQHOST: messaging + TZ: Europe/Zurich + DOCKER_STACKS_JUPYTER_CMD: notebook + volumes: + - aiidalab-home-folder:/home/aiida # optional # - "aiida-python-venv:/opt/venv" # - "./.bash_history:/home/aiida/.bash_history" # (make sure the .bash_history file is already created locally) - depends_on: - - database - - messaging - ports: - - 8888:8888 # main port + depends_on: + - database + - messaging + ports: + - 8888:8888 # main port volumes: - aiida-postgres-db: - name: aiida-postgres-db - aiida-rmq-data: - name: aiida-rmq-data - aiidalab-home-folder: - name: aiidalab-home-folder + aiida-postgres-db: + name: aiida-postgres-db + aiida-rmq-data: + name: aiida-rmq-data + aiidalab-home-folder: + name: aiidalab-home-folder # aiida-python-venv: From 316a1f1d8f56db5e3d9b5b96c037947e9cf44f3e Mon Sep 17 00:00:00 2001 From: Aliaksandr Yakutovich Date: Tue, 21 Jun 2022 17:59:26 +0200 Subject: [PATCH 3/5] Update user's home directory path --- docker-compose.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docker-compose.yaml b/docker-compose.yaml index 47198d3..d650b5b 100644 --- a/docker-compose.yaml +++ b/docker-compose.yaml @@ -40,8 +40,9 @@ services: RMQHOST: messaging TZ: Europe/Zurich DOCKER_STACKS_JUPYTER_CMD: notebook + #AIIDALAB_DEFAULT_APPS: "aiidalab-widgets-base" volumes: - - aiidalab-home-folder:/home/aiida + - aiidalab-home-folder:/home/jovyan # optional # - "aiida-python-venv:/opt/venv" # - "./.bash_history:/home/aiida/.bash_history" @@ -60,4 +61,3 @@ volumes: name: aiida-rmq-data aiidalab-home-folder: name: aiidalab-home-folder - # aiida-python-venv: From bc46b91fa80290c4a71042b2122118d228271abd Mon Sep 17 00:00:00 2001 From: Aliaksandr Yakutovich Date: Wed, 22 Jun 2022 16:17:18 +0200 Subject: [PATCH 4/5] Add two variables to the aiidalab container: - SETUP_DEFAULT_AIIDA_PROFILE to control whether setup new profile or not. - AIIDALAB_DEFAULT_APPS list of apps to be installed by default. --- docker-compose.yaml | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/docker-compose.yaml b/docker-compose.yaml index d650b5b..5331200 100644 --- a/docker-compose.yaml +++ b/docker-compose.yaml @@ -40,7 +40,8 @@ services: RMQHOST: messaging TZ: Europe/Zurich DOCKER_STACKS_JUPYTER_CMD: notebook - #AIIDALAB_DEFAULT_APPS: "aiidalab-widgets-base" + SETUP_DEFAULT_AIIDA_PROFILE: "true" + AIIDALAB_DEFAULT_APPS: "" volumes: - aiidalab-home-folder:/home/jovyan # optional From 0edcb3580eb51016661a8ac67b06a5d80165946e Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Wed, 22 Jun 2022 14:18:13 +0000 Subject: [PATCH 5/5] [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci --- docker-compose.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/docker-compose.yaml b/docker-compose.yaml index 5331200..c2b609d 100644 --- a/docker-compose.yaml +++ b/docker-compose.yaml @@ -40,8 +40,8 @@ services: RMQHOST: messaging TZ: Europe/Zurich DOCKER_STACKS_JUPYTER_CMD: notebook - SETUP_DEFAULT_AIIDA_PROFILE: "true" - AIIDALAB_DEFAULT_APPS: "" + SETUP_DEFAULT_AIIDA_PROFILE: 'true' + AIIDALAB_DEFAULT_APPS: '' volumes: - aiidalab-home-folder:/home/jovyan # optional