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```shell
mamba install -c conda-forge pyiron_workflow pyiron_atomistics pyiron_base
```
Attempting to import
```python
from pyiron_atomistics.vasp.output import parse_vasp_output as pvo
```
r…
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There is currently a pull request open up-stream https://github.com/jupyter/docker-stacks/pull/2131 once this is merged, we should be able to update the pyiron docker images.
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Test example:
```python
import pyiron
import pyiron_base.storage.hdfio
# --- replace pyiron_base.storage.hdfio.FileHDFio._open_hdf by wrapper to count calls
def _open_hdf(filename,mode="r",swmr…
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At our workflow hackathons at the ADIS meeting, we had some interesting discussions including a wish list from the user perspective. I am also thinking a lot about features that we need in the pyiron_…
JNmpi updated
1 month ago
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When trying to `from pyiron/pyiron_base/pyiron_atomistics import Project` in a jupyter notebook connected to my hpc pyiron installation, I'm getting a 'Database busy with too many connections' warning…
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## Is your feature request related to a problem? ##
[PyIron](https://pyiron.readthedocs.io/en/latest/source/about.html) is a growing package ecosystem focused on streamlining materials science work…
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Add a short explanation that `flux start` has to be called before users are able to use `Flux` with `executorlib`. Alternatively, use the custom jupyter kernel https://github.com/pyiron/executorlib/bl…
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It looks to me like it requires only the path for [storage.py](https://github.com/pyiron/pyiron_workflow/blob/main/pyiron_workflow/storage.py). Do you think it makes sense to separate it to a separate…
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```
alledProcessError Traceback (most recent call last)
File ~/anaconda3/envs/workflow-rdf-v0.2/lib/python3.11/site-packages/pyiron_base/jobs/job/runfunction.py:936, in execut…
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https://github.com/pyiron/pyiron_atomistics/blob/4361b7b02f89148e249aac04d17dd6eeffdd1bff/pyiron_atomistics/atomistics/job/atomistic.py#L1032
The reason why this line fails is because Sphinx uses `…