# Developer **URL:** https://aiida.discourse.group/c/dev/14.md [Latest](https://aiida.discourse.group/latest.md) · [Categories](https://aiida.discourse.group/categories.md) · [Tags](https://aiida.discourse.group/tags.md) --- ## [About the Developer category](https://aiida.discourse.group/t/about-the-developer-category/161)
**Author:** [@admin](https://aiida.discourse.group/u/admin)\ **Replies:** 0\ **Last updated:** [November 16, 2023, 9:19pm UTC](https://aiida.discourse.group/t/about-the-developer-category/161 "2023-11-16T21:19:30Z")
More technical discussions for developers of AiiDA-core and its plugins. --- ## [4th bug fixed ! Preserve node annotations from cache](https://aiida.discourse.group/t/4th-bug-fixed-preserve-node-annotations-from-cache/765)
**Author:** [@So-coder-ai](https://aiida.discourse.group/u/So-coder-ai)\ **Replies:** 0\ **Last updated:** [September 5, 2026, 3:10am UTC](https://aiida.discourse.group/t/4th-bug-fixed-preserve-node-annotations-from-cache/765 "2026-09-05T03:10:30Z")
PR : #7609 Fixes #7580 When storing a node from cache, preserve label and description values already set on the new node instead of overwriting them with the cache source’s annotations. Empty labels/descriptions still … --- ## [\`aiida-quantumespresso\`: (planned) breaking changes for v5.0](https://aiida.discourse.group/t/aiida-quantumespresso-planned-breaking-changes-for-v5-0/684)
**Author:** [@mbercx](https://aiida.discourse.group/u/mbercx)\ **Replies:** 3\ **Last updated:** [May 13, 2026, 11:16am UTC](https://aiida.discourse.group/t/aiida-quantumespresso-planned-breaking-changes-for-v5-0/684 "2026-05-13T11:16:27Z")
Hi fellow aiida-quantumespresso developers! A month ago, I released an alpha release of aiida-quantumespresso (5.0.0a1). This was done in a bit of a hurry, since we needed some breaking changes released for the MC3D pap… --- ## [New Era of AiiDA](https://aiida.discourse.group/t/new-era-of-aiida/720)
**Author:** [@mukul-sharma-tech](https://aiida.discourse.group/u/mukul-sharma-tech)\ **Replies:** 7\ **Last updated:** [March 27, 2026, 4:35pm UTC](https://aiida.discourse.group/t/new-era-of-aiida/720 "2026-03-27T16:35:57Z")
Hi @AiiDA Team I hope you’re doing well. I’m currently preparing my GSoC proposal for the project “Natural Language Interface for AiiDA using Multi-Agent AI”, and I would really appreciate your feedback on the idea and… --- ## [\`BaseRestartWorkChain\`: upcoming changes in behavior for unhandled failures](https://aiida.discourse.group/t/baserestartworkchain-upcoming-changes-in-behavior-for-unhandled-failures/697)
**Author:** [@mbercx](https://aiida.discourse.group/u/mbercx)\ **Replies:** 0\ **Last updated:** [December 8, 2025, 10:51pm UTC](https://aiida.discourse.group/t/baserestartworkchain-upcoming-changes-in-behavior-for-unhandled-failures/697 "2025-12-08T22:51:52Z")
Hi all, We’re very close to merging the following PR, which will be a part of the upcoming v2.8.0 release: which makes some changes in the behavior of the BaseRestartWorkChain when dealing with unhandled failures (se… --- ## [Kill job allocation when workflow ends](https://aiida.discourse.group/t/kill-job-allocation-when-workflow-ends/685)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 5\ **Last updated:** [October 15, 2025, 5:08pm UTC](https://aiida.discourse.group/t/kill-job-allocation-when-workflow-ends/685 "2025-10-15T17:08:36Z")
I’ve been working on a persistent scheduler plugin which creates an allocation that it can proxy into and submit more jobs. I have it all working but have now come to the part where I need to kill the allocation if the j… --- ## [Run only one job on local machine](https://aiida.discourse.group/t/run-only-one-job-on-local-machine/459)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 3\ **Last updated:** [September 19, 2025, 12:58pm UTC](https://aiida.discourse.group/t/run-only-one-job-on-local-machine/459 "2025-09-19T12:58:52Z")
Hello everyone, I’ve recently been doing development on my local machine and at some point have several jobs that get launched in parallel from a single workchain instance. It seems someone had a similar question Is the… --- ## [Test fails for aiida-core v2.7.0 with InstalledCode](https://aiida.discourse.group/t/test-fails-for-aiida-core-v2-7-0-with-installedcode/631)
**Author:** [@bastonero](https://aiida.discourse.group/u/bastonero)\ **Replies:** 7\ **Last updated:** [July 16, 2025, 3:28pm UTC](https://aiida.discourse.group/t/test-fails-for-aiida-core-v2-7-0-with-installedcode/631 "2025-07-16T15:28:48Z")
Dear all, I am writing as I am not sure how to solve the problem I am facing. The test test\_run of the file workflows/test\_ase.py of aiida-phonopy is failing with the following error: test\_ase.py::test\_run 07/15/2025 0… --- ## [High RAM usage during archive import](https://aiida.discourse.group/t/high-ram-usage-during-archive-import/614)
**Author:** [@eimrek](https://aiida.discourse.group/u/eimrek)\ **Replies:** 3\ **Last updated:** [May 21, 2025, 9:35pm UTC](https://aiida.discourse.group/t/high-ram-usage-during-archive-import/614 "2025-05-21T21:35:35Z")
I’m running into the same problem as a few years ago: Testing of v2.0.0a1 (archive migration) · aiidateam · Discussion #5407 · GitHub Basically, when importing the SSSP archive (sssp-infos.aiida from Materials Cloud Arc… --- ## [Implementing the Flux scheduler from LLNL](https://aiida.discourse.group/t/implementing-the-flux-scheduler-from-llnl/473)
**Author:** [@nkeilbart](https://aiida.discourse.group/u/nkeilbart)\ **Replies:** 11\ **Last updated:** [April 16, 2025, 12:45pm UTC](https://aiida.discourse.group/t/implementing-the-flux-scheduler-from-llnl/473 "2025-04-16T12:45:14Z")
Hello everyone, I am looking to possibly start implementing a scheduler plugin for the Flux scheduler that has been developed here at LLNL. This will be very useful as the next generation of super computers at the lab w… --- ## [Supported RabbitMQ versions](https://aiida.discourse.group/t/supported-rabbitmq-versions/392)
**Author:** [@danielhollas](https://aiida.discourse.group/u/danielhollas)\ **Replies:** 13\ **Last updated:** [April 10, 2025, 5:02pm UTC](https://aiida.discourse.group/t/supported-rabbitmq-versions/392 "2025-04-10T17:02:13Z")
The AiiDA documentation currently states RabbitMQ v3.5 and older are end-of-life and are not supported in any way. For RabbitMQ v3.8.15 and up, AiiDA is not compatible with the default configuration of the server. Th… --- ## [Training an LLM to generate queries from natural language prompts - GSoC 2025](https://aiida.discourse.group/t/training-an-llm-to-generate-queries-from-natural-language-prompts-gsoc-2025/540)
**Author:** [@jgyasu](https://aiida.discourse.group/u/jgyasu)\ **Replies:** 2\ **Last updated:** [February 13, 2025, 2:05pm UTC](https://aiida.discourse.group/t/training-an-llm-to-generate-queries-from-natural-language-prompts-gsoc-2025/540 "2025-02-13T14:05:45Z")
Hello, my name is Jigyasu. I am an electronics engineering undergraduate. I was going through the NumFOCUS accepted projects and found AiiDA there. I am interested in working on this project for GSoC '25 and I just wante… --- ## [How to fail calcjob when the underlying process failed?](https://aiida.discourse.group/t/how-to-fail-calcjob-when-the-underlying-process-failed/493)
**Author:** [@Technici4n](https://aiida.discourse.group/u/Technici4n)\ **Replies:** 7\ **Last updated:** [November 15, 2024, 10:08am UTC](https://aiida.discourse.group/t/how-to-fail-calcjob-when-the-underlying-process-failed/493 "2024-11-15T10:08:15Z")
Hi! I am working on a plugin to integrate AiiDA with DFTK. For now I would like to fail the calcjob if running DFTK failed. Here is the parser implementation: aiida-dftk/src/aiida\_dftk/parsers.py at 377bbf170de0ed545be… --- ## [A walk through calcjob, from beginning to the end?](https://aiida.discourse.group/t/a-walk-through-calcjob-from-beginning-to-the-end/477)
**Author:** [@ali-khosravi](https://aiida.discourse.group/u/ali-khosravi)\ **Replies:** 1\ **Last updated:** [October 18, 2024, 4:31pm UTC](https://aiida.discourse.group/t/a-walk-through-calcjob-from-beginning-to-the-end/477 "2024-10-18T16:31:18Z")
Can somebody tell me what set of functions are being called exactly when a calcjob is being processed? from submission to monitor and retrieve? what actually happens behind the scenes in plumpy, How are all sorts of tas… --- ## [RabbitMQ now available on conda-forge on OSX/ARM64](https://aiida.discourse.group/t/rabbitmq-now-available-on-conda-forge-on-osx-arm64/445)
**Author:** [@danielhollas](https://aiida.discourse.group/u/danielhollas)\ **Replies:** 1\ **Last updated:** [August 4, 2024, 12:04pm UTC](https://aiida.discourse.group/t/rabbitmq-now-available-on-conda-forge-on-osx-arm64/445 "2024-08-04T12:04:52Z")
After the longest side-quest in history of side-quests, happy to let you know for those using M1/M2 Macs that you can now install rabbitmq-server via conda-forge. This might not be best option for production use cases, b… --- ## [How crucial is \`dereference\` -support for symlink- in ssh transport plugin](https://aiida.discourse.group/t/how-crucial-is-dereference-support-for-symlink-in-ssh-transport-plugin/413)
**Author:** [@ali-khosravi](https://aiida.discourse.group/u/ali-khosravi)\ **Replies:** 1\ **Last updated:** [June 11, 2024, 10:08am UTC](https://aiida.discourse.group/t/how-crucial-is-dereference-support-for-symlink-in-ssh-transport-plugin/413 "2024-06-11T10:08:14Z")
Just a quick inquiry: Does anybody know how dependent AiiDA plugins are on \*dereference=True option in either of the copy(), get(), or put() methods of the ssh transport plugin? \*Dereferencing causes these methods to a… --- ## [\`sqlite\_dos\` backend \`sqlite3.OperationalError: database is locked\` error](https://aiida.discourse.group/t/sqlite-dos-backend-sqlite3-operationalerror-database-is-locked-error/412)
**Author:** [@geiger\_j](https://aiida.discourse.group/u/geiger_j)\ **Replies:** 1\ **Last updated:** [June 10, 2024, 7:31pm UTC](https://aiida.discourse.group/t/sqlite-dos-backend-sqlite3-operationalerror-database-is-locked-error/412 "2024-06-10T19:31:22Z")
While developing a Weather & Climate workflow using WorkGraph and ShellJobs, I just obtained the sqlite3.OperationalError: database is locked error. The tool is still in a very early development stage, i.e. I’m not runni… --- ## [New options in slurm scheduler headers](https://aiida.discourse.group/t/new-options-in-slurm-scheduler-headers/390)
**Author:** [@fpa88](https://aiida.discourse.group/u/fpa88)\ **Replies:** 3\ **Last updated:** [May 21, 2024, 11:29am UTC](https://aiida.discourse.group/t/new-options-in-slurm-scheduler-headers/390 "2024-05-21T11:29:42Z")
Hi, Would it be possible to add new options for building the slurm header? I’ve identified 3 files that need to be modified to add the “exclude” and “constraint” slurm options. --- ## [Show stored data in provenance graph](https://aiida.discourse.group/t/show-stored-data-in-provenance-graph/367)
**Author:** [@Federica\_Zanca](https://aiida.discourse.group/u/Federica_Zanca)\ **Replies:** 5\ **Last updated:** [April 19, 2024, 9:16pm UTC](https://aiida.discourse.group/t/show-stored-data-in-provenance-graph/367 "2024-04-19T21:16:19Z")
Hi, I am working on implementing a Calcjob for a plugin and I was trying to do the following. My Code (as in the aiida data type code) can take arguments in the command line or in a config file. So when I create the sub… --- ## [API of \`verdi computer\` and \`verdi code\`](https://aiida.discourse.group/t/api-of-verdi-computer-and-verdi-code/315)
**Author:** [@geiger\_j](https://aiida.discourse.group/u/geiger_j)\ **Replies:** 2\ **Last updated:** [March 5, 2024, 8:43am UTC](https://aiida.discourse.group/t/api-of-verdi-computer-and-verdi-code/315 "2024-03-05T08:43:52Z")
Hey people, I don’t think this warrants an actual issue, but still wanted to note it somewhere: Currently, verdi code create is the recommended way to set up a code, with verdi code setup still present, but with a depre… --- ## [Should stored \`Dict\` nodes return a \`frozendict\`?](https://aiida.discourse.group/t/should-stored-dict-nodes-return-a-frozendict/168)
**Author:** [@mbercx](https://aiida.discourse.group/u/mbercx)\ **Replies:** 0\ **Last updated:** [November 21, 2023, 12:24pm UTC](https://aiida.discourse.group/t/should-stored-dict-nodes-return-a-frozendict/168 "2023-11-21T12:24:43Z")
Currently, trying to change nested content of a stored Dict node fails silently: In \[3\]: d = Dict({'a': {'b': None, 'c': None}}) ...: d\['a'\]\['b'\] = 2 ...: print(d.get\_dict()) {'a': {'b': 2, 'c': None}} In \[4\]: d.… --- ## [When to make new releases, how to use milestone](https://aiida.discourse.group/t/when-to-make-new-releases-how-to-use-milestone/162)
**Author:** [@jusong.yu](https://aiida.discourse.group/u/jusong.yu)\ **Replies:** 1\ **Last updated:** [November 16, 2023, 10:07pm UTC](https://aiida.discourse.group/t/when-to-make-new-releases-how-to-use-milestone/162 "2023-11-16T22:07:12Z")
A discussion about the version release, not only about the aiida-core but also more general for plugins and other libraries we maintained. Questions I have are: How to properly use the milestone feature of GitHub, and …