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aiidateam / qe-tools

A set of useful tools for Quantum ESPRESSO
MIT License
28 stars 13 forks source link

Please provide a few more details on the purpose of this repo #1

Closed ltalirz closed 6 years ago

ltalirz commented 6 years ago

I'm sure this sounds stupid, but to me the purpose of this repo isn't clear. Is there a reason why we cannot add the functionality provided here in the aiida-quantumespresso plugin? I see that the qeinputparser uses aiida, so it' doesn't seem to be about avoiding to install aiida... Which brings me back to my question ;-)

giovannipizzi commented 6 years ago

Here we should put anything that can run without the need to install aiida and all its dependencies. E.g. in seek path I'm changing the code to depend on this package, but I don't want to depend on all AiiDA.

ltalirz commented 6 years ago

So the idea is that the aiida-quantumespresso plugin will depend on qe-tools, right? And that the aiida dependencies in qe-tools will be removed(?)

I can update the README if you like...

giovannipizzi commented 6 years ago

Exactly, this should already be the case. Thanks!

ltalirz commented 6 years ago

Fixed in 8bf4c347a6bf73d88cff645e580fe511fdff2526