Skip to content

Repository layout

One installable source tree

src/autogen is the only Python library source root. A method is organized by role:

src/autogen/methods/<method>/
  derivation/      symbolic specifications and conventions, when applicable
  generated/       checked, reproducible runtime kernels and compact manifests
  runtime/         handwritten CCSD/EOM-CCSD solvers and adapters
  production/      reviewed QPCCSD runtime (used instead of runtime/)

Public __init__.py modules are facades. Callers should not import repository-relative generated_code or method_inputs paths. Generated modules use package-relative imports so the installed wheel behaves the same way as the checkout.

Tests mirror the method names under tests/methods. Repository-level packaging and Git contract tests live under tests/repository; they are not part of a method's scientific test suite.

Generated data

Compact JSON manifests needed to reproduce or audit runtime algebra are package data. They ship with the wheel beside the generated QPCCSD modules. Large diagnostic plans, rendered reports, and full campaign outputs are not runtime data and do not ship.

The historical projected_codegen_plan.json was 387,064,269 bytes. Its identity and regeneration command are retained in provenance/excluded_large_objects.json, while .gitignore prevents the object from returning to the repository.

Configurations, scripts, and documentation

  • configs/<method> contains reviewed, human-readable example inputs.
  • scripts contains generation, validation, and remote launch helpers—not library code.
  • docs/methods/<method> records equations, conventions, and certification criteria.
  • provenance contains compact machine-readable records for excluded artifacts and consolidation sources.

Archive boundary

archive, artifacts, results, checkpoint, log, raw-plot, and scratch directories are ignored. Archives may preserve exact historical snapshots outside the repository, but they are never imported, discovered by pytest, included in a wheel, or treated as a second implementation. Scientific results promoted to tests must be reduced to compact, provenance-stamped fixtures under tests/methods/<method>.