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agoscinski
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Nov 26, 2025
agoscinski
commented
Nov 26, 2025
agoscinski
commented
Nov 26, 2025
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| # Check if profile already exists | ||
| # TODO think about when psql database exist but aiida profile was not successfully created | ||
| teardown_dbuser_from_aiida_profile(profile_name, pg_host, pg_port, pg_user, pg_password) |
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dont forget this to hnandle differentl
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Introduces profile creation in utils/profile.py to store
information about the Airflow configuration in the AiiDA profile.
In addition scripts have been created that expose the profile management
functions in form of a CLI that will be later merged into the AiiDA CLI.
Only PostgreSQL is for now supported.
The test profile is created using these utilities to allow easier
debugging by having direct access to the test profile.
Key features:
- Profile creation with integrated Airflow database setup
- Automatic extraction of Airflow environment from profile configuration
- Profile verification to ensure Airflow support
- Proper teardown of both AiiDA and Airflow databases/users
Implementation details:
1. Profile Management (utils/profile.py):
- create_aiida_profile(): Creates AiiDA profile with Airflow support
- delete_aiida_profile(): Removes profile and cleans up databases/users
- setup_dbuser_from_aiida_profile(): Creates separate AiiDA and Airflow databases
- teardown_dbuser_from_aiida_profile(): Drops databases and users using admin credentials
- verify_profile_supports_airflow(): Validates required Airflow configuration keys
- from_profile_create_airflow_env(): Extracts Airflow environment variables from profile
- Uses admin credentials (pg_admin_*) to properly handle PostgreSQL operations
- Configure secrets for communication between scheduler, api-server and triggerer
2. CLI Scripts:
- scripts/cmd_profile_create.py: Creates new AiiDA profiles with Airflow support
- scripts/cmd_profile_delete.py: Deletes profiles with verification and cleanup
- scripts/cmd_airflow.py: Executes Airflow CLI commands with profile environment
(uses direct argument pass-through to support Airflow flags like -B)
Technical notes:
- Separate for AiiDA and Airflow, potentially same
- Admin credentials required for database/user deletion (PostgreSQL restriction)
- Profile verification ensures Airflow configuration is present before operations
- AIRFLOW_HOME stored in profile's config directory: <aiida_config>/<profile>/airflow
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Support for Airflow in AiiDA profile
Introduces profile creation in utils/profile.py to store
information about the Airflow configuration in the AiiDA profile.
In addition scripts have been created that expose the profile management
functions in form of a CLI that will be later merged into the AiiDA CLI.
Only PostgreSQL is for now supported.
The test profile is created using these utilities to allow easier
debugging by having direct access to the test profile.
Key features:
Implementation details:
Profile Management (utils/profile.py):
CLI Scripts:
(uses direct argument pass-through to support Airflow flags like -B)
Technical notes: