PP plugin, add back 'settings' input

[yakutovicha]

fixes #536

[sphuber]

Thanks @yakutovicha , implementation looks fine. Could you maybe just add a test for the cmdline setting?

[sphuber]

If you update the branch, the tests should now also run because I pushed a fix to develop

[sphuber]

Thanks @yakutovicha . Three minor things and then this is good to go

[sphuber]

I don't think this works as expected. The or won't be applied to the value of settings but orm.Dict(dict=settings), so no matter the value of settings you will always hit the first clause. Since orm.Dict(dict=None) is fine and is exactly equal to orm.Dict() you might as well get rid of or orm.Dict()

[yakutovicha]

ah, didn't know. And you are right, empty AiiDA Dict object is not falsy:

In [3]: if Dict(dict={}):
   ...:     print("Hello")
   ...:
Hello

Maybe one should fix this here as well:

aiida-quantumespresso/tests/parsers/test_pw.py

Line 25 in 0031475

'settings': orm.Dict(dict=settings) or orm.Dict(),

[sphuber]

Ah, yes, please do

[yakutovicha]

also, just a side note:

In [6]: Dict(dict=None) == Dict(dict=None)
Out[6]: False

not sure whether this is what we expect.

[sphuber]

Thanks @yakutovicha