# Internal Sirocco Meeting 27-11-2024 ## Caffeine Junkies get their dosis :raised_hands: ## Cleanup clean up issues and PRs ## IR catch up / PR Go over new IR design. with parameters or not? ## Milestones Start defining [milestones](https://github.com/C2SM/Sirocco/milestones) and attaching issues to them. ### 1. Prorotype running #### Features - Just the sandbox - No pre/post processing - with restarts #### Dev - Integration with `aiida-workgraph` - ICON task ### 2. Early users #### Add the arbitrary task feature - Use `aiida-shell` - Interface design: how do users scripts access input data? - Either through input arguments (requires users to write their scripts this way) - Or through a yaml file Sirocco drops in the working directory containing the path to all input data. We would provide basic examples for how to parse such a file in `python` or `bash`. #### CLI? Maybe verdi is enough for now with some guidance #### Status aware IR Same remark #### Have a machine running AiiDA 24/7 - CSCS authentication - Hardware specs: - CPU: multicore REALLY paralell, not necessarily performant - memory: 8GB - storage: - able to grow - First 1/2 TB - suitable for postgres database ### 3. First release #### status aware `core.Workflow` for pretty printing and visualizing => verdi CLI with docs #### Documentation #### Enhance plugin for *arbitrary* scripts - Allow environment activation - Allow for *sources* as opposed to a single script ## Accelerating development? ExClaim is already in need for the workflow tool. I can dedicate most of my time to it for the next months. What about Alex, Julian and Rico? - Rico: I have an ongoing GT4Py development cycle until pretty much the end of the year (taking holidays into account). Next year I can dedicate at least 1-2 months from the beginning. - For us at PSI, it's usually 50% SwissTwins, 50% general AiiDA dev *** ## Notes from the meeting - Added `when:` keyword with `before, at, after` - Parameters allowed `single` and `all` -> `all` is the default - Think about using in-memory DB for parameters (might be much quicker for large graph, but overhead...) - Materials Cloud graph visualization tool for large graphs - Add status property to tasks, and for large graphs that are running shrink visualization to current cycle and one before and after - Possibly use AiiDA links for graph subselection