stfc / aiidalab-chemshell
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BTSpeake 
Bump app version bundled with docker containers

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Recent builds

Builds Branch Commit Type Ran Committer Via Coverage
28581713786 main Bump app version bundled with docker containers push BTSpeake github
0.17
28580958603 main Bump version for release with minor fixes to be compatible with installing via AiiDAlab app registry push BTSpeake github
0.17
28580889164 main Update to "full" docker container to remove unnecessary setup steps and pull the correct latest version of intel OneAPI compilers push BTSpeake github
0.17
28514266236 main Fix base docker container to match correct AiiDAlab app folder structure push BTSpeake github
0.17
28373196214 main Update CITATION.cff push BTSpeake github
0.17
28183096831 main Bump version push BTSpeake github
0.17
28183029795 main Additional and improved workflow tabs (#15) Introduces single point and atomistic energy calculation workflows and adds the ability to show/hide advanced options within the UI for each workflow. push web-flow github
0.17
28182711910 atomic_energy_workflow Merge fdcf967f8 into 85ec603e7 Pull #15 web-flow github
0.17
28182423617 atomic_energy_workflow Merge 81d7cbbd2 into 85ec603e7 Pull #15 web-flow github
0.17
26501054753 main Create Initial Documentation (#14) * Create user documentation for the calculation setup page * Add docs for history page and add screenshots for start, main app and history page * Add some details and reference for AiiDAlab launch * Update sc... push web-flow github
0.21
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