pyiron/pyiron_base

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Core components of the pyiron integrated development environment (IDE) for computational materials science

Stars: 26
Forks: 15
Open beginner issues: 0
Indexed issues: 78
Avg merge: 3h 21m
Merged PRs (30d): 12

Dominant language: Python
License: BSD-3-Clause
Last GitHub push: Sep 15, 2026
Latest indexed: Sep 19, 2026
Contributing guide: Contributing guide
Code of conduct: Code of conduct
Beginner labels: help wanted good first issue

Beginner friendly Everything

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78 open issues indexed

Memory_limit incorrectly described in info text Open

Difficulty 1/5 Under an hour Newbie friendliness 55/100

pyiron/pyiron_base#1947 · 1 comment · Opened Dec 26, 2025
`PYIRONSQLCONNECTIONSTRING` documentation misleading Open

Difficulty 4/5 3-5 days Newbie friendliness 42/100

pyiron/pyiron_base#1904 · 1 comment · 1 reaction · Opened Sep 21, 2025
Job.copy_to fails in non-database mode Open

bug

Difficulty 3/5 1-2 days Newbie friendliness 52/100

pyiron/pyiron_base#1742 · Opened Jan 27, 2025
underscores in project name kills database performance Open

bug

Difficulty 3/5 1-2 days Newbie friendliness 35/100

pyiron/pyiron_base#1725 · 8 comments · Opened Jan 9, 2025
`flex.test_pythonfunctioncontainer.TestPythonFunctionContainer.test_with_executor_wait` fails too often Open

code_smell

pyiron/pyiron_base#1559 · 1 assignee · Opened Jul 29, 2024
conda installation doesn't work out of the box - ModuleNotFoundError psycopg2 Open

bug

Difficulty 2/5 1-3 hours Newbie friendliness 25/100

pyiron/pyiron_base#1552 · 2 comments · Opened Jul 24, 2024
[Feedback] Homepage README example too long Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

pyiron/pyiron_base#1539 · 1 comment · Opened Jul 17, 2024
Restarting old jobs does not work anymore with the latest update Open

bug

Difficulty 4/5 3-5 days Newbie friendliness 35/100

pyiron/pyiron_base#1510 · 5 comments · Opened Jul 3, 2024
Executable: Expose number of cores/threads/gpus/etc as environment variables to scripts Open

enhancement

pyiron/pyiron_base#1483 · 1 assignee · Opened Jun 18, 2024
Restart discussion Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

pyiron/pyiron_base#1462 · Opened Jun 3, 2024
Job name normalization causing issues Open

bug

Difficulty 4/5 3-5 days Newbie friendliness 30/100

pyiron/pyiron_base#1445 · 2 comments · Opened May 24, 2024
Warning: Could not remove job with ID X - when deleting master Open

Difficulty 3/5 1-2 days Newbie friendliness 45/100

pyiron/pyiron_base#1405 · Opened Apr 9, 2024
Benchmark tests for job[...] Open

Difficulty 3/5 1-2 days Newbie friendliness 35/100

pyiron/pyiron_base#1393 · 1 comment · Opened Mar 22, 2024
Why bypass the getter for `GenericJob.executor_type`? Open

pyiron/pyiron_base#1387 · 1 assignee · Opened Mar 18, 2024
`GenericJob.executor_type` needs documentation Open

pyiron/pyiron_base#1386 · 1 assignee · Opened Mar 18, 2024
FlattenedStorage.split modifies original storage Open

bug

pyiron/pyiron_base#1374 · 1 assignee · Opened Mar 14, 2024
`GenericJob.save` just keeps copying things Open

pyiron/pyiron_base#1367 · 6 comments · 2 assignees · Opened Mar 4, 2024
How to handle refreshing the DataContainer for jobs submitted to the queuing system? Open

pyiron/pyiron_base#1353 · 1 comment · 1 assignee · Opened Feb 23, 2024
`Project.wrap_python_function` does not play nicely with name lengths Open

pyiron/pyiron_base#1348 · 5 comments · 1 assignee · Opened Feb 20, 2024
Spurius benchmark fail in unit tests Open

pyiron/pyiron_base#1233 · 7 comments · 1 assignee · Opened Nov 30, 2023
`queue_table` and `queue_table_global` not working? Open

Difficulty 3/5 1-2 days Newbie friendliness 35/100

pyiron/pyiron_base#1230 · Opened Nov 24, 2023
suggestions from pmd general assembly Open

enhancement

Difficulty 5/5 Over a week Newbie friendliness 25/100

pyiron/pyiron_base#1193 · 5 comments · Opened Sep 21, 2023
Forbid changing the job.server.run_mode after job.run Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

pyiron/pyiron_base#1157 · 2 comments · 1 reaction · Opened Jul 7, 2023
Updating numpy creates a different number of warnings...which fails CI Open

pyiron/pyiron_base#1144 · 3 comments · 1 assignee · Opened Jun 21, 2023
project maintenance is outdated and not tested Open

pyiron/pyiron_base#1130 · 1 assignee · Opened Jun 12, 2023
make executable.storage contain exec text itself? Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

pyiron/pyiron_base#1090 · 4 comments · Opened May 12, 2023
Recognize pyiron HDF5 files as pyiron files Open

Difficulty 3/5 1-2 days Newbie friendliness 42/100

pyiron/pyiron_base#1089 · 2 reactions · Opened May 11, 2023
Queue adapter interface is not documented or tested Open

Discussion documentation help wanted

Difficulty 4/5 3-5 days Newbie friendliness 35/100

pyiron/pyiron_base#1085 · 2 comments · Opened May 4, 2023
Compatibility of `lazy` and `remove` Open

Difficulty 5/5 Over a week Newbie friendliness 25/100

pyiron/pyiron_base#1061 · 1 comment · Opened Mar 26, 2023
Job ID on Remote HPC not matching local ID Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

pyiron/pyiron_base#1056 · 9 comments · Opened Mar 16, 2023
New Generic Job interface to unify input & output AND make jobs hashable Open

enhancement Feature request

Difficulty 5/5 Over a week Newbie friendliness 20/100

pyiron/pyiron_base#1051 · 10 comments · 2 reactions · Opened Feb 28, 2023
Inconsistent Behavior if Space in Job Name Open

Difficulty 3/5 1-2 days Newbie friendliness 38/100

pyiron/pyiron_base#1040 · 28 comments · Opened Feb 20, 2023
Rendering DataContainers on an ipython shell Open

Difficulty 3/5 1-2 days Newbie friendliness 35/100

pyiron/pyiron_base#1031 · 3 comments · Opened Feb 13, 2023
Inform user resources not installed Open

enhancement Feature request

Difficulty 4/5 3-5 days Newbie friendliness 45/100

pyiron/pyiron_base#1026 · 1 comment · Opened Feb 6, 2023
As the FileTable is implemented as a Singleton it does not update when a new Project is created Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

pyiron/pyiron_base#1011 · Opened Jan 30, 2023
Refactor write_input Open

Difficulty 3/5 1-2 days Newbie friendliness 42/100

pyiron/pyiron_base#993 · Opened Jan 17, 2023
Clean up the job table Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

pyiron/pyiron_base#986 · 5 comments · Opened Jan 16, 2023
Can we raise an error when trying to submit a job that is defined interactively in a jupyter notebook? Open

documentation

Difficulty 2/5 1-3 hours Newbie friendliness 42/100

pyiron/pyiron_base#982 · 1 reaction · Opened Jan 16, 2023
Switching to local database should issue a warning that queueing jobs doesn't work. Open

bug documentation

Difficulty 4/5 3-5 days Newbie friendliness 25/100

pyiron/pyiron_base#981 · 1 comment · Opened Jan 16, 2023
Job time not automatically tracked in user defined jobs Open

bug

Difficulty 4/5 3-5 days Newbie friendliness 25/100

pyiron/pyiron_base#979 · 20 comments · Opened Jan 16, 2023
How to make changes that affect `pyiron_atomistics`? Open

question

Difficulty 3/5 1-2 days Newbie friendliness 25/100

pyiron/pyiron_base#970 · 5 comments · Opened Jan 11, 2023
Can we get rid of `job_name`? Open

enhancement

Difficulty 5/5 Over a week Newbie friendliness 30/100

pyiron/pyiron_base#966 · 1 comment · 1 reaction · Opened Jan 6, 2023
[performance/usability] job.copy_to() and pr.import_from_path() take too much memory and cause the crashing of jupyter kernels/python scripts Open

Difficulty 4/5 3-5 days Newbie friendliness 35/100

pyiron/pyiron_base#961 · 1 comment · Opened Dec 22, 2022
Maintenance option to re-generate hdf5 files from old projects in case of backwards incompatibility Open

pyiron/pyiron_base#910 · 1 assignee · Opened Nov 27, 2022
Missing job.kill() functionality if processes are running in background Open

pyiron/pyiron_base#907 · 1 assignee · Opened Nov 22, 2022
Consisten parameter specification Open

Discussion

Difficulty 5/5 Over a week Newbie friendliness 25/100

pyiron/pyiron_base#905 · 3 comments · Opened Nov 21, 2022
Project removal is buggy (?) Open

bug

Difficulty 3/5 1-2 days Newbie friendliness 45/100

pyiron/pyiron_base#930 · 3 comments · Opened Nov 11, 2022
Implement a `from_file` and `to_file` or something similar for `DataContainers` to avoid prior-knowledge requirement to avoid bugs Open

enhancement

pyiron/pyiron_base#890 · 5 comments · 1 assignee · Opened Nov 7, 2022
Bug (?) with pyiron tables? Says table already open when running job, raises an error Open

bug

Difficulty 4/5 3-5 days Newbie friendliness 25/100

pyiron/pyiron_base#877 · Opened Oct 25, 2022
Hashing of `DataContainer` Open

pyiron/pyiron_base#848 · 13 comments · 1 assignee · Opened Oct 7, 2022

pyiron/pyiron_base

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