Add new mode `KubeVaspInteractive` for k8s integration

ulissigroup / vasp-interactive

GNU Lesser General Public License v2.1

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Add new mode `KubeVaspInteractive` for k8s integration #13

Closed alchem0x2A closed 2 years ago

alchem0x2A commented 2 years ago

Allowing running interactive vasp in kubernetes pods, with full functioning message communication
add helper functions based on dask_kubernetes cluster scheduling
benchmark examples

KubeVaspInteractive is intended to fix the issue that running interactive vasp in dask workers lacks flexibility of choosing worker and maintain the background vasp process

Experimental only for now

alchem0x2A commented 2 years ago

as no unittests are written for k8s support, will merge directly