greschd/aiida-tools

Helper module for writing AiiDA plugins.

aiida-tools's Issues

Release on conda

Hey @greschd 👋 just copying this here, in case you don't notice on Slack.
I wanted to get some of the aiida plugins on conda (to make it easier to build the quantum mobile, for the common workflows, etc), this is something I can mainly do on my own.
For aiida-siesta, basically I need to get aiida-siesta <- aiida-optimize <- aiida-tools <- fsc.export 😅
But I hit an initial problem with fsc.export; that it does not have a license bundled in the source code, and does not specify an apache version: conda-forge/staged-recipes#19518
I also couldn't find where the actual source code is located for this (https://pypi.org/project/fsc.export/)?
Is this something you could help me with cheers?

For easy reference:

• https://github.com/siesta-project/aiida_siesta_plugin/blob/develop/setup.json
• https://github.com/greschd/aiida-optimize/blob/develop/setup.json
• https://github.com/greschd/aiida-tools/blob/master/setup.py

Move to aiidaplugins org and 0.4.0 broke

Hey, @greschd, would you consider moving this to https://github.com/aiidaplugins?
I'd like to move more plugins here, that are currently owned by single users, just so its easy to maintain them consistently.

One reason I mention this, is that v0.4.0 is broken, because _check_workchain_step.py still imports fsc 😅
Then also, ideally, there would be a release without fsc, that still allowed for aiida v1.x, so I can use it on conda for aiida-siesta, etc, which have not updated yet to 2.x