Implement Python codebase using Pydantic and mat3ra-* libraries

[Copilot]

Implements Python bindings as a subset of the JS/TS codebase following the pattern from mat3ra-mode#66. The implementation uses Pydantic v2 models and integrates with the mat3ra ecosystem (esse, mode, ade, utils).

Changes

Core Data Models

• Enums for UnitType, UnitStatus, UnitTag, WorkflowStatus
• BaseUnit with 9 concrete implementations (Execution, Assignment, IO, Map, Reduce, Condition, Assertion, Processing, Subworkflow)
• Subworkflow for logical unit collections with application/model config
• Workflow for complete computational workflows

Dependencies

• Added mat3ra-esse, mat3ra-mode, mat3ra-ade, mat3ra-utils
• Added pydantic >=2.0.0 for data validation

Technical Details

• Pydantic v2 ConfigDict with field aliases for _id → id mapping
• Literal types for unit type constants
• Compatible with ESSE workflow schemas
• 17 files, ~450 LOC

Usage

from mat3ra.wode import Workflow, ExecutionUnit, UnitType, UnitStatus

# Create workflow components
unit = ExecutionUnit(
    name="scf_calculation",
    application={"name": "espresso", "version": "6.3"}
)

workflow = Workflow(
    name="DFT Calculation",
    properties=["total_energy"],
    units=[unit.model_dump()]
)

Testing

• 16 test cases covering all unit types and workflow classes
• JS tests remain passing

Original prompt

Implement Python codebase as a subset of the JS/TS codebase and similar to the implementation for mode in https://github.com/Exabyte-io/mode/pull/66/files, specifically:

• use data structures / pydantic types from mat3ra-esse when available
• use other mat3ra-* libraries when available: mat3ra-mode, mat3ra-ade, mat3ra-utils, etc.

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