Fix Docker build by installing openmm before uv run

[itsiiie]

What this PR does

Fixes Docker build failure caused by uv run being executed before openmm is installed.

Why this is needed

uv does not automatically install runtime dependencies.
openmm must be installed before invoking any uv run commands.

Changes

• Install openmm prior to uv run install.py in Dockerfile

Result

Docker build completes successfully without runtime errors.

Fixes #271