aiidateam / aiida-code-registry

Registry of simulation codes and computers for easy setup in AiiDA.
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add code registry tools #62

Open ltalirz opened 2 years ago

ltalirz commented 2 years ago

This adds a registry that allows users to place a set of yaml files describing computers and codes installed on them in a folder of their choice (AIIDA_CODE_REGISTRY). When using the load_code or load_computer functions from aiida_code_registry, these codes are set up automatically on demand.

Supersedes #61