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Or, more precisely, group paths using the recent `GroupPath` features introduced in AiiDA
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When we are dealing with frequency, uv-vis, and emission spectra calculations, we generate files with arrays of numeric data which can later be used for visualization.
I need to check `ArrayData`, `…
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It seems `aiida-core` is using this to get the exit code in a complicated manner:
`tasks.py` and `calcjob.py` both expect a dictionary with three keys (`'retval'`, `'stdout'`, `'stderr'`) from:…
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In https://github.com/aiidateam/aiida-core/pull/5073, the entry points of plugins that ship with `aiida-core` are prefixed with `core.`. Once this change has been released, the tutorial material must …
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See [aiidalab](https://github.com/epfl-theos/aurora-app/tree/aiidalab) branch.
Problems I encountered so far:
- [x] AiiDAlab docker image uses Python 3.7. [`typing.Literal`](https://docs.python…
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Tests should be added for:
- [X] Translators (indirectly by the CLI tests for `aiida-optimade init`).
- [x] Transformers
- [ ] Routers
- [ ] Mappers
- [x] ~`aiida_session.py` (will potentially …
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In the new aiida-core the old way of submitting calculations using is deprecated.
Instead the process builder should be used: https://aiida-core.readthedocs.io/en/latest/concepts/processes.html#th…
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I open this issue to brainstorm on the features that might be needed for having a push-pull mechanism (similar to git) to mirror two AiiDA DBs. Once implemented, using a third central place (similar t…
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Question arose while working on
https://aiida-tutorials.readthedocs.io/en/latest/pages/2019_ISSP_Chiba_Japan/sections/calculations.html#computer-setup
Indeed - `verdi code list` shows PKs, while `…
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**Issue by [aiida-bot](https://github.com/aiida-bot)**
_Wednesday Apr 05, 2017 at 07:47 GMT_
_Originally opened as https://github.com/materialscloud-org/frontend/issues/28_
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Originally reported…