aiida-core

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Allow nested path in symlink, automatically create directory

4

Fixes #4726 The interface for this feature is still being discussed, hence WIP.

greschd

function node can return the source of function rather than only the source of file

6

As mention in #4543 When checking the source of the process function over MaterialCloud discover(or when explore the aiida archive of others), the whole source file returns and show makes...

unkcpz

Fix bug in `TrajectoryData.get_step_data`

6

Fixes #4170 If a `TrajectoryData` does not contain an array `cells` the `get_step_data` method should define and return `cell = None`. There was a typo that caused an error in...

lorisercole

Respect disabled computer and set processes to pause

9

simple fix for #1550

dev-zero

Make sure key external packages/plugins are updated to 2.0

2

A number of key external packages and plugins should be updated to make sure they work with 2.0. I suggest to do the work as soon as the RC is...

giovannipizzi

Caching: ph process failed if previous pw.x process finished_ok and cached but remote folder cleaned.

46

- [x] [AiiDA Troubleshooting Documentation](https://aiida.readthedocs.io/projects/aiida-core/en/latest/intro/troubleshooting.html) - [x] [AiiDA Users Forum](https://groups.google.com/forum/#!forum/aiidausers) ### Describe the bug This problem happened when chain the `PwBaseWorkChain` and `PwBaseWorkChain` in a Workflow and using QE plugin...

unkcpz

Add an option to show a progress bar for `verdi storage maintain`

6

Internally, `disk-objecstore` provides all the functionality to show a progress bar when doing a full repack (so, at least for the `--full` option of `verdi storage maintain`). Since the process...

giovannipizzi

Migration error from old develop branch (dec 2021) to most recent develop (2.0a1)

2

I get this error when I run `verdi -p default storage migrate`: ``` Report: Migrating to the head of the legacy django branch Traceback (most recent call last): File "/Users/pizzi/.virtualenvs/aiida-dev/bin/verdi",...

giovannipizzi

Error from SQLite when running `verdi node graph generate`

2

I was generating a large graph (many many nodes) and I got this exception: ``` Traceback (most recent call last): File "/Users/pizzi/git/aiida-core/aiida/orm/implementation/django/nodes.py", line 242, in get_attribute KeyError: 'mesh' The above...

giovannipizzi

When plotting BandsData, the distance computation does not take into account when all the high symmetry points have a label in self.labels, https://github.com/aiidateam/aiida-core/blob/bab1ad6cfc8e4ff041bce268f9270c613663cb35/aiida/orm/nodes/data/array/bands.py#L477-L481 which leads to a situation where, if...

mikeatm