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SCIENTIFIC_VALIDATION_REPORT.md

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Scientific Validation Report

Verdict

Current execution evidence supports a clean local validation baseline for exploratory and internal pre-release use. The previously reported collection blocker and package-provenance ambiguity were not reproducible after a fresh local editable install from the workspace, but scientific release-readiness should still be treated as conditional until stricter numerical-regression governance and required type gates are in place.

Scope and provenance

  • Validation date: 2026-03-26
  • Repository: quantumdynamics927-dotcom/QPyth
  • Validation commit: 76d4ffd1fdf02e0ae8ad60e3c701380c8a411202
  • Python: 3.12.3
  • Install mode: local editable install via pip install -e .[dev]
  • Editable project location: /home/runner/work/QPyth/QPyth
  • Import origin: /home/runner/work/QPyth/QPyth/quantumpytho/__init__.py
  • Dependency health: python -m pip check passed
  • Environment hash (pip freeze | sha256sum): c9396e6d7c05d2041232e911b0f63d37f2bac1e5d0ff0dd391d9cd9b53176d9a

Methods

The following commands were executed from the repository root:

  1. python -m pip install --upgrade pip && pip install -e .[dev]
  2. python -m pip check
  3. ruff check .
  4. ruff format --check .
  5. pytest -v --tb=short
  6. pytest --cov=quantumpytho --cov-report=xml

Results

Gate Status Evidence
Local source provenance Pass Editable install resolves to the workspace checkout, removing local-vs-installed ambiguity for this run.
Dependency integrity Pass python -m pip check reported No broken requirements found.
Lint Pass ruff check . passed cleanly.
Format Pass ruff format --check . reported all tracked files already formatted.
Test execution Pass pytest -v --tb=short completed with 367 passed, 1 skipped.
Coverage baseline Pass pytest --cov=quantumpytho --cov-report=xml completed with 99% total line coverage and wrote coverage.xml during validation.

Coverage highlights

  • quantumpytho/modules/dna_circuits.py: 96%
  • quantumpytho/modules/ibm_archive.py: 93%
  • Total measured coverage: 99% (1473 statements, 15 missed)

Warning observations

The validation run completed with non-blocking warnings:

  1. A runpy runtime warning in tests/test_main.py::test_main_module_runpy.
  2. Qiskit TwoLocal/NLocal deprecation warnings surfaced by tests/test_vqe_h2_exact.py.

These warnings do not invalidate the current baseline, but they should be tracked before a scientific release because upstream deprecations can become future reproducibility failures.

Scientific validation matrix

Dimension Status Notes
Deterministic rerunability Pass Fresh local install plus repeated validation commands produced a complete passing baseline.
Verification completeness Pass Full test collection and execution completed without collection errors.
Numerical method governance Partial Broad functional coverage is strong, but dedicated release-level convergence/error-tolerance governance is not yet documented as a required gate.
Implementation-to-claim traceability Partial Source, tests, and coverage are aligned for this run, but a formal claim-to-test mapping is still absent.
External reproducibility readiness Partial Workspace provenance is clear for this run; future release validation should preserve the same pinned-install discipline and environment hash capture.

Interpretation relative to the earlier validation concern

The earlier report identified missing-module collection failures for quantumpytho.modules.dna_circuits and quantumpytho.modules.ibm_archive. In the current workspace state, both modules are present, imported from the local checkout, and their dedicated test files pass. This indicates that the previously observed failure mode was environmental or historical rather than a current repository blocker.

Remaining release-readiness risks

  1. MyPy is still advisory in CI and is not currently enforced as a blocking merge gate.
  2. Numerical-regression tolerances for scientific claims are not yet summarized in one release-facing artifact.
  3. Upstream Qiskit deprecations should be resolved before they become hard failures in future versions.

Rerun instructions

From the repository root:

python -m pip install --upgrade pip
pip install -e .[dev]
python -m pip check
ruff check .
ruff format --check .
pytest -v --tb=short
pytest --cov=quantumpytho --cov-report=xml

Record the following with every release validation rerun:

  • Git commit SHA
  • Python version
  • Editable install origin or artifact identifier
  • pip freeze | sha256sum output
  • Test and coverage summaries