Release v0.5.0

Highlights

• Update ChemGraph container and add Kubernetes deployment. #123
• Add execution layer to ChemGraph, including EnsembleLauncher, Parsl, Globus compute and Globus transfer. #120 #127
• Add initial Academy integration #120
• Updates package metadata to version 0.5.0 and fixes source-checkout version reporting so UI deployments do not show unknown.
• Modernizes the Streamlit UI with modular pages, improved chat/session behavior, available-calculator display, better math/report rendering, HTML report downloads, and build/host metadata.
• Adds calculator availability detection during agent initialization and improves calculator selection, including xTB/TBLite alias handling.
• Expands agent workflows with human-in-the-loop support, single-agent routing tests, retry/session fixes, and safer state serialization.
• Adds and improves CLI, memory/session persistence, model routing, MCP client support, RAG, XANES, and evaluation tooling.
• Adds Kubernetes, GHCR, Streamlit Cloud, HPC, and MCP deployment documentation and examples.
• Improves CI reliability with dependency pins, Windows serializer fixes, Ruff cleanup, and expanded tests.