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Release v2.1.1
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sphuber committed Nov 10, 2022
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1 change: 1 addition & 0 deletions .pre-commit-config.yaml
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(?x)^(
tests/.*(?<!\.py)$|
docs/source/.+\.aiida/repo/.+|
CHANGELOG.md|
)$
- id: fix-encoding-pragma
- id: mixed-line-ending
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37 changes: 37 additions & 0 deletions CHANGELOG.md
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# Changelog

## v2.1.1 - 2022-11-10

### Fixes

- Engine: Remove `*args` from the `Process.submit` method. [[#5753]](https://github.com/aiidateam/aiida-core/pull/5753)
Positional arguments were silently ignored leading to a misleading error message.
For example, if a user called
```python
inputs = {}
self.submit(cls, inputs)
```
instead of the intended
```python
inputs = {}
self.submit(cls, **inputs)
```
The returned error message was that one of the required inputs was not defined.
Now it will correctly raise a `TypeError` saying that positional arguments are not supported.
- Process functions: Add serialization for Python base type defaults [[#5744]](https://github.com/aiidateam/aiida-core/pull/5744)
Defining Python base types as defaults, such as:
```python
@calcfunction
def function(a, b = 5):
return a + b
```
would raise an exception.
The default is now automatically serialized, just as an input argument would be upon function call.
- Process control: Reinstate process status for paused/killed processes [[#5754]](https://github.com/aiidateam/aiida-core/pull/5754)
Regression introduced in `aiida-core==2.1.0` caused the message `Killed through 'verdi process list'` to no longer be set on the `process_status` of the node.
- `QueryBuilder`: use a nested session in `iterall` and `iterdict` [[#5736]](https://github.com/aiidateam/aiida-core/pull/5736)
Modifying entities yielded by `QueryBuilder.iterall` and `QueryBuilder.iterdict` would raise an exception, for example:
```python
for [node] in QueryBuilder().append(Node).iterall():
node.base.extras.set('some', 'extra')
```


## v2.1.0 - 2022-11-07

This feature release comes with a number of new features as well as quite a few fixes of bugs and stability issues.
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2 changes: 1 addition & 1 deletion aiida/__init__.py
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'For further information please visit http://www.aiida.net/. All rights reserved.'
)
__license__ = 'MIT license, see LICENSE.txt file.'
__version__ = '2.1.0'
__version__ = '2.1.1'
__authors__ = 'The AiiDA team.'
__paper__ = (
'S. P. Huber et al., "AiiDA 1.0, a scalable computational infrastructure for automated reproducible workflows and '
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