Installation

Reproducing the current campaign has two separate setup stages:

1. install AiiDA and its local services on macOS;
2. add the Quantum ESPRESSO plugin, SCARF computer, pw.x code, and pseudopotentials.

Keep the complete QE workflow in one dedicated Python environment. Put other AiiDA workflow stacks in separate environments when their version constraints conflict.

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Install AiiDA on macOS Add Quantum ESPRESSO and SCARF