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kain88-de avatar kain88-de commented on June 27, 2024 1

@orbeckst Maybe you are interested in this too. I didn't do a lot of testing but it should allow to write bash code like this

for folder in $(dtr search simulations --tags GB3 --categories gromacs:2016.4)
do
    # run some GROMACS functions or other things.
done

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richardjgowers avatar richardjgowers commented on June 27, 2024

@kain88-de if this is finished can we not just include it into the main package?

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kain88-de avatar kain88-de commented on June 27, 2024

Nothing speaking against it but I'm not using click so this would mean adding another dependency. I see nothing against having this as a stand-alone package for some time and using it to see if we need to change it.

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orbeckst avatar orbeckst commented on June 27, 2024

Does datreant.cli still thinks that datreant has namespace packages – is this the problem?

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kain88-de avatar kain88-de commented on June 27, 2024

Nope it doesn't. We can also use a hyphen instead of the dot so name it datreant-cli. I'm not aware the dot is a problem but worth a check.

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dotsdl avatar dotsdl commented on June 27, 2024

Unless something has changed in the python import system last time I researched it (>3 years ago), the dot would be a problem for importing the module. If you try to import datreant.cli and the import system finds the datreant package first, it won't find a cli module and would give on ImportError. A namespace package avoids this by being an umbrella in which nothing really lives but under which a bunch of modules are available.

See my comment in #4: let's make the CLI interface part of the datreant package itself.

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kain88-de avatar kain88-de commented on June 27, 2024

yup replacing the dot with an underscore worked.

So this can be tested now. There will be bugs. I have not done any testing yet. I still have to update all of my projects to actually use the new datreant version.

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kain88-de avatar kain88-de commented on June 27, 2024

See 7e19586

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