NOTE! THIS WAS JUST A FIRST PROOF OF CONCEPT OF THE AIIDA FILE REPOSITORY. This was the reimplemented in AiiDA (using similar concepts) and will appear in AiiDA 2.0.
This repo is now archived (it is here just for historical reasons). Refer to the AiiDA implementation instead.
A simple mock-up of a possible new implementation of the AiiDA repository, leveraging the disk-objectstore package.
NOTE: you need to install first the disk-objectstore package.
This is not yet on pip, so you need to get it with git and pip install it
in editable mode.
This is not meant to be a final implementation, but just a simple mock-up implementation to test the interface, and the performance.
In particular, the most useful code is the example_repository.py file,
that can be run to try to export an existing AiiDA "legacy" repository (AiiDA v1.1 and earlier) into a new format using the disk-objectstore.
In order to run it, you can create a bash file with the following content:
#!/bin/bash
./example_repository.py -U "DB_USERNAME" -D test_repo -P "YOURPWD" -c -r ~/.aiida/repositories/aiidadb/repository/ -C "$@"Replace DB_USERNAME and YOURPWD with the user name and password of a user that can connect to PostgreSQL.
test_repo can be changed to the name of a different database.
VERY IMPORTANT NOTE! You need to create test_repo first. But, most importantly,
note that this needs to be a test database, as this will be DROPPED by the tests inside
example_repository.py.