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yakutovicha avatar yakutovicha commented on July 22, 2024

Yep, aiida-castep clashes with the other plugins, so I had to move it to the [dev] section of the Pipfile:

aiida-castep = "~=1.0"

The only way to avoid the clash is to delete the plugin from the dependencies.

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chrisjsewell avatar chrisjsewell commented on July 22, 2024

thanks @yakutovicha, pinging @zhubonan (the aiida-castep owner) about this issue

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yakutovicha avatar yakutovicha commented on July 22, 2024

thanks @yakutovicha, pinging @zhubonan (that aiida-castep owner) about this issue

that is another way ;)

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chrisjsewell avatar chrisjsewell commented on July 22, 2024

Ah ok so, the quantum mobile install doesn't use the Pipfile: https://github.com/marvel-nccr/ansible-role-aiidalab/blob/453f60635090e1e9017657e284cd83bacff37581/tasks/prerequisites.yml#L39-L45.
I've never used a Pipfile before: what's the command to install with a Pipfile? @ltalirz any thoughts how to integrate this in to the ansible role, I don't know off-hand

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yakutovicha avatar yakutovicha commented on July 22, 2024

We use pipenv to pin the version of all the required packages dependencies. Here is how we do it: https://github.com/aiidalab/aiidalab#updating-requirements

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chrisjsewell avatar chrisjsewell commented on July 22, 2024

or can we quickly comment out aiida-bigdft and aiida-castep from the requirments.txt for now and make another release?

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chrisjsewell avatar chrisjsewell commented on July 22, 2024

We use pipenv to pin the version of all the required packages dependencies. Here is how we do it: https://github.com/aiidalab/aiidalab#updating-requirements

yep that looks too complicated lol, can we quickly comment them out from the requirements.txt for now?

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yakutovicha avatar yakutovicha commented on July 22, 2024

yep that looks too complicated lol, can we quickly comment them out from the requirements.txt for now?

Well, this won't change anything, right? Only to silence the pip warning.

But in case you really want me to take these packages out, I can do that.

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chrisjsewell avatar chrisjsewell commented on July 22, 2024

yes please, you're right not commented out, actually deleted, so that they are not read in by:

aiidalab/setup.py

Lines 12 to 13 in 37f581e

with open('requirements.txt', 'r') as rfile:
requirements = rfile.read().splitlines() # pylint: disable=invalid-name
, and included in the install_requires

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