aiidalab / aiidalab-launch

Tool to launch AiiDAlab on a local workstation.
MIT License
5 stars 3 forks source link

Support create profile with image specified #181

Closed unkcpz closed 1 year ago

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 100.00% and project coverage change: +0.24 :tada:

Comparison is base (d3c121f) 86.54% compared to head (0c01b5b) 86.79%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #181 +/- ## ========================================== + Coverage 86.54% 86.79% +0.24% ========================================== Files 9 9 Lines 907 909 +2 ========================================== + Hits 785 789 +4 + Misses 122 120 -2 ``` | Flag | Coverage Δ | | |---|---|---| | py-3.10 | `86.68% <100.00%> (+0.24%)` | :arrow_up: | | py-3.11 | `86.46% <100.00%> (+0.02%)` | :arrow_up: | | py-3.8 | `86.42% <100.00%> (+0.03%)` | :arrow_up: | | py-3.9 | `86.53% <100.00%> (+0.02%)` | :arrow_up: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab#carryforward-flags-in-the-pull-request-comment) to find out more. | [Impacted Files](https://app.codecov.io/gh/aiidalab/aiidalab-launch/pull/181?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab) | Coverage Δ | | |---|---|---| | [aiidalab\_launch/\_\_main\_\_.py](https://app.codecov.io/gh/aiidalab/aiidalab-launch/pull/181?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab#diff-YWlpZGFsYWJfbGF1bmNoL19fbWFpbl9fLnB5) | `80.25% <100.00%> (+0.12%)` | :arrow_up: | | [aiidalab\_launch/profile.py](https://app.codecov.io/gh/aiidalab/aiidalab-launch/pull/181?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab#diff-YWlpZGFsYWJfbGF1bmNoL3Byb2ZpbGUucHk=) | `96.84% <100.00%> (ø)` | | ... and [1 file with indirect coverage changes](https://app.codecov.io/gh/aiidalab/aiidalab-launch/pull/181/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=aiidalab)

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danielhollas commented 1 year ago

Suggestion: it would be more generally useful to support creating a profile from a yaml file configuration, similarly to verdi code create

unkcpz commented 1 year ago

Suggestion: it would be more generally useful to support creating a profile from a yaml file configuration, similarly to verdi code create

Yes, that'll be convenient. But the feature added in this PR is for the upcoming QeApp tutorial, in the doc it can simply use new qe stack to get a QeApp-ready container. (It is exactly what you suggested at https://github.com/aiidalab/aiidalab-docker-stack/pull/381#issuecomment-1563093644) I find it very straightforward to use that for Quantum Mobile. To keep it as simply for aiidalab-launch approach, this PR is needed.

unkcpz commented 1 year ago

Hi @danielhollas, mind having a look at this one? For the config file as input, I did that for the optimade-launch which I stole most of the code from here and had conifg file as input. I'll open a similar PR here soon.

danielhollas commented 1 year ago

Sure, will take a look tomorrow.

unkcpz commented 1 year ago

@danielhollas thanks!