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aiidateam / aiida-pseudo

MIT License
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CLI: Add `--all` option to automated install commands #101

Open mbercx opened 3 years ago

mbercx commented 3 years ago

Since some users might simply want install all pseudopotential configurations of a certain family (I'm running into this when installing pseudos for the QEapp for example), it would be good to add an --all options that simply installs all configurations.

mbercx commented 3 years ago

Note: Perhaps there should be an argument here to specify the version though. Typically you don't want to install all versions.

mbercx commented 3 years ago

Also pinging @csadorf and @yakutovicha so they are aware of this idea for a future aiidalab-docker-stack release.

sphuber commented 3 years ago

Think indeed not including all versions might be a good idea. Especially for PseudoDojo this can lead to a lot of families. Thinking about it, is this always well defined? Many of the versions in PD do not contain all types. For example v1.0 only has the jthxml pseudos no?

mbercx commented 3 years ago

Think indeed not including all versions might be a good idea. Especially for PseudoDojo this can lead to a lot of families. Thinking about it, is this always well defined? Many of the versions in PD do not contain all types. For example v1.0 only has the jthxml pseudos no?

Yeah, I'm considering for the automated install of all pseudos in a family with multiple formats, we should probably also make sure that they can only install one format. I'm not sure about the jthxml pseudos for v1.0, would have to check. 😅