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aiidateam / aiida-common-workflows

A repository for the implementation of common workflow interfaces across materials-science codes and plugins
https://aiida-common-workflows.readthedocs.io
MIT License
52 stars 30 forks source link

documentation should mention how to install the software #290

Closed ltalirz closed 7 months ago

ltalirz commented 1 year ago

The docs on https://aiida-common-workflows.readthedocs.io do not seem mention how to install the software.

The How to use the common workflows section starts with a command that assumes that the package & code has already been installed.

ltalirz commented 1 year ago

For starters, which versions of the Quantum Mobile VM/docker image can I run the common workflows on?

Edit: I guess 21.05.1? https://quantum-mobile.readthedocs.io/en/latest/releases/index.html

There is a later release on dockerhub https://hub.docker.com/r/marvelnccr/quantum-mobile/tags but there are no corresponding release notes on the quantum mobile page

mbercx commented 1 year ago

@chrisjsewell: did you ever build an image that also had the common workflows pre-installed?

mbercx commented 1 year ago

On a related note: we should document the supported quantum code versions, both for the upcoming verification project release that still uses aiida-core v1.X, and the v2.X version.

As an example, v3.5.2 of aiida-quantumespresso, the latest version to support aiida-core v1.X, only support Quantum ESPRESSO <= 7.0.