aiidalab aiidalab-qe issues

aiidalab / aiidalab-qe

AiiDAlab App for Quantum ESPRESSO

https://aiidalab-qe.readthedocs.io/

MIT License

9 stars 14 forks source link

issues

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[pre-commit.ci] pre-commit autoupdate

#759 pre-commit-ci[bot] opened 2 hours ago
1
Bump the gha-dependencies group across 1 directory with 3 updates

#758 dependabot[bot] opened 7 hours ago
0
Deleting the diamond.cif file

#757 mikibonacci opened 1 day ago
2
Case sensitive filenames breaks in case insensitive filesystems.

#756 mikibonacci opened 1 day ago
0
Feature/post install plugins

#755 mikibonacci opened 2 days ago
1
Walltime doesnt apply to plugin (vibroscopy)

#754 AndresOrtegaGuerrero opened 5 days ago
1
Rename `QuantumESPRESSO` to `Quantum ESPRESSO`

#753 superstar54 opened 6 days ago
0
CI: Use uv for installing deps

#752 danielhollas closed 1 day ago
1
Redesign header with logo, toggled info sections, etc.

#751 edan-bainglass opened 1 week ago
0
WIP: Test with Python 3.11

#750 danielhollas opened 1 week ago
0
Acknowledgements for projects

#749 mikibonacci opened 1 week ago
0
nsteps widget

#748 AndresOrtegaGuerrero opened 2 weeks ago
0
Adding an upload button to setup computer and codes

#747 mikibonacci opened 2 weeks ago
0
App crashes if dos.x code is not on the same computer of pw.x

#746 mikibonacci opened 3 weeks ago
0
External plugin (aiidalab qe vibroscopy) cant be install in ARM64

#745 AndresOrtegaGuerrero closed 2 weeks ago
13
Install plugin with `--user` option for persistence

#744 superstar54 closed 1 month ago
0
Adding the max_wallclock_seconds setting

#743 mikibonacci closed 1 month ago
7
Plugin list should install external as pip install --user

#742 AndresOrtegaGuerrero closed 1 month ago
0
Bump requests from 2.31.0 to 2.32.0 in /docs

#741 dependabot[bot] opened 1 month ago
0
Docker image with home directory tar

#740 superstar54 opened 1 month ago
8
Adding more QE codes into the default stored ones

#739 mikibonacci opened 1 month ago
1
Automatic parallelization settings

#738 mikibonacci opened 1 month ago
0
Time estimation to run a given simulation

#737 mikibonacci opened 1 month ago
1
Time report for each sub WorkChain

#736 mikibonacci opened 1 month ago
1
Docker image for fast launch

#735 superstar54 opened 1 month ago
0
Handling Molecules

#734 AndresOrtegaGuerrero opened 1 month ago
3
Fast startup

#733 unkcpz opened 1 month ago
0
Include Bands projections

#732 AndresOrtegaGuerrero opened 1 month ago
0
Exclude all other plugins when select the HP plugin

#731 superstar54 opened 1 month ago
0
RWIP: docker workflow refactor GHA

#730 unkcpz opened 1 month ago
5
Explicitly pinning down the full-stack image version for qe image

#729 unkcpz closed 1 month ago
1
Bump version v24.04.0 -> v24.10.0a0

#728 superstar54 closed 1 month ago
0
Issue in optimade provider selection

#727 mikibonacci opened 1 month ago
0
Job List not displaying, Checkbox instance expected a unicode string, not the float nan

#726 AndresOrtegaGuerrero opened 1 month ago
3
cleaning 2D path logic

#725 AndresOrtegaGuerrero closed 1 month ago
0
Improve code setup

#724 danielhollas opened 1 month ago
1
New release fail the docker stack test on arm64, something wrong with pip install pymatgen

#723 unkcpz opened 1 month ago
5
Bump jinja2 from 3.1.2 to 3.1.4 in /docs

#722 dependabot[bot] opened 1 month ago
0
Bump version v24.04.0rc3 -> v24.04.0

#721 superstar54 closed 1 month ago
0
fix parameter retrieval in method `_update_process_label`

#720 superstar54 closed 1 month ago
2
crash when select a new structure after confirmed step1

#719 superstar54 closed 1 month ago
0
HubbardStructureData reach by StructureBrowserWidget

#718 AndresOrtegaGuerrero closed 1 month ago
5
Make the job list page pretty

#717 superstar54 opened 2 months ago
0
HubbardStructureData arent reachable in the AiiDA database widget

#716 AndresOrtegaGuerrero closed 1 month ago
0
Bump version v24.04.0rc2 -> v24.04.0rc3

#715 superstar54 closed 2 months ago
0
Bump version v24.04.0rc2 -> v24.04.0rc3

#714 superstar54 closed 2 months ago
5
Handle plugin gracefully

#713 superstar54 closed 2 months ago
2
Bump AWB from 2.2.0a0 to 2.2.0

#712 superstar54 closed 2 months ago
0
fix code for xps, xas, and update the code resources

#711 superstar54 closed 2 months ago
1
Fix current year in app

#710 AndresOrtegaGuerrero closed 2 months ago
0