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- Test for singularity on localhost, running with image
containers4hpc/qe-mpich314:0.1.0
- Test for conda on localhost, running
pw.x
from conda forge qe. - Finalize the documentation and test on SARUS, Singularity on CSCS, and docker, and conda on localhost. containerized code: setting and running containerized code (docker, sarus, singularity, conda) #5507
Description
Support for containerized simulation codes
Note: Basic support for containerized codes is scheduled to be released with AiiDA 2.1. This is being dealt with in #5507
- GSOC 2020: https://github.com/aiidateam/aiida-core/wiki/GSoC-2020-Projects#project-2---built-in-support-for-codes-encapsulated-in-containers-docker-shifter-singularity-
- Issue: containerized code: setting and running containerized code (docker, sarus, singularity, conda) #5507
- People: @giovannipizzi, @unkcpz