resolve small edge case bugs (#1920)

also includes better test coverage to catch these edge cases.

md runner abstractions + improvements (#1835)

Fix merge mole md test (#1904)

Auto add edge_chunk_size (#1876)

Auto add edge_chunk_size (#1876)

Disable chan balance compile (#1863)

Generic MD Runner (#1782)

### Summary

Adds MDRunner for running MD simulations with any ASE dynamics
integrator, with checkpoint/resume and graceful preemption support.

- Trajectory output in Parquet format (buffered, zstd-compressed)
- Checkpoint/resume saves atomic state, thermostat state (NoseHoover,
Bussi, Langevin), and generates portable configs for cross-machine
resume
- STOPFAIR sentinel file support for graceful preemption on managed
clusters
- Periodic rolling checkpoints for crash recovery

local error handler (#1775)

Support local error handling like we do for slurm.

local error handler (#1775)

Support local error handling like we do for slurm.

Add ray as dependency (#1675)

* remove soft ray imports

* add ray[serve] as dep