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It is now convenient to run just `pytest` in the test folder using the fixture defined in `aiida.manage.fixtures.fixture_manager`. This creates a complete separate aiida profile and database. However,…
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Since CASTEP works without a param file, `write_input_files` should also work when the `param` argument is `None`. But at the moment, such a scenario rasies a `TypeError`:
```
TypeError: 'NoneType…
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This is a list of plugins that are compatible with `aiida-core` 1.0.0b2 (or lated) and can therefore be included in the `develop` branch of the AiiDA lab:
- [x] aiida-bands-inspect: new release v0…
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I thought we already had an issue for this but don't see it.
This feature was previously discussed with @kinzani @meinhorn @warda-rahim @zccaayo
and is particularly relevant for calculations in …
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This is in my template cell file:
---------- cut here ---------
kpoints_mp_spacing 0.020
symmetry_generate
%BLOCK SPECIES_POT
Al 2|1.2|23|26|29|20U:21U:30:31(qc=8)
%ENDBLOCK SPECIES_POT
---------…
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I'm not sure how this happens or exactly how to reproduce it yet except by running a moderately expensive CASTEP_ASE bulk Si test, but I can get a crash in oo_fortran.py line 449 in `FortranDerivedTyp…
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The link validation in `Node.add_incoming` was written to be correct when the `Node` interface was rewritten and efficiency was not given priority. However, in certain use cases the validation becomes…
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As discussed in #2768, running a calculation with the `metadata.dry_run=True` option should, in some way, provide a programatic link to the created submission folder, *via* the returned `CalcJobNode`…
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When running on Marconi, the latest release (v4.2) may take twice as long to run as v3.1. I first noticed this with STORM, but the interchange-instability/test-interchange-instability case shows the s…
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Request to add a new Trove classifier.
## The name of the classifier you would like to add
* `Framework :: AiiDA`
## Why do you want to add this classifier?
The [AiiDA framework](http://www.ai…