aiida-core
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aiidateam
The official repository for the AiiDA code
I encounter the following issue when running tests for the plugin `aiida-optimize` where the test has a fixture that opens a daemon and then submit process to the daemon (Is...
Docs: 404
New documentations not found. Examples: This page: https://aiida.readthedocs.io/projects/aiida-core/en/v1.0.0/_modules/aiida/backends/tests/orm/utils/test_loaders.html directs to a newer version, which is non-existing: https://aiida.readthedocs.io/projects/aiida-core/en/v1.6.4/_modules/aiida/backends/tests/orm/utils/test_loaders.html This page: https://aiida.readthedocs.io/projects/aiida-core/en/v0.12.1/_modules/aiida/orm/data/parameter.html directs to a newer version, which is non-existing: https://aiida.readthedocs.io/projects/aiida-core/en/v1.6.4/_modules/aiida/orm/data/parameter.html This...
### Describe the bug Switching profiles from `profile-a` to `profile-b` with `aiida.load_profile('profile-b', allow_switch=True)` does not close all connections to the database of `profile-a`. This can be verified by trying to...
After using groups to organize my nodes, I find that the `verdi group list` may be improved by the following small changes: - List order by label instead of pk...
A few things noted to improve at a later time, after merging #4565: 1. remove create_docker.yml (https://github.com/aiidateam/aiida-core/pull/4565#discussion_r572159376_) > Well the key thing is that we need to be able to...
### Is your feature request related to a problem? Please describe At the moment a complex number (builtin or equivalent numpy type) cannot be used as the value in `List`,...
Commit 2a2bf21dc6b49d7783795f14d1de6d1fdcff007b should be reverted once `importlib-metadata` releases a new version that fixes the problem that introduced it: https://github.com/python/importlib_metadata/issues/351
When projecting a single property in a query, `one()` and `first()` will still return a list, forcing one to still index the returned list to get the value of interest....
Since here: https://github.com/aiidateam/aiida-core/blob/bab1ad6cfc8e4ff041bce268f9270c613663cb35/aiida/storage/psql_dos/orm/nodes.py#L204 Only the node ID's are used to create the `DbLink` row, it would be possible currently to accidentally pass it two nodes associated with different backends, and...
This should not be exposed on the public API, for e.g. `Node` (see #4976). Instead, we move it to a pure function. Note, you could rename to `Entity._from_backend_entity`, but this...