MolAS-Active-Learning / scripts /verify_hf_package.py
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Record verified public dataset release and viewer checks
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#!/usr/bin/env python3
"""Verify the complete local HF payload; never upload, train, dock, or unpickle."""
from __future__ import annotations
import argparse
import csv
import hashlib
import json
from pathlib import Path
import sys
EXCLUDED = {'provenance/repository_files.json', 'provenance/final_verification.json', 'SHA256SUMS'}
IGNORED_PARTS = {'.git', '.cache', '__pycache__', '.venv', 'outputs', 'scratch'}
def files(root):
return {p.relative_to(root).as_posix(): p for p in root.rglob('*')
if p.is_file() and not any(x in IGNORED_PARTS for x in p.relative_to(root).parts)
and p.name != '.DS_Store' and not p.name.endswith(('.pyc', '.pyo'))}
def digest(path):
with path.open('rb') as f:
return hashlib.file_digest(f, 'sha256').hexdigest()
def main():
parser = argparse.ArgumentParser(description=__doc__)
parser.add_argument('--root', type=Path, default=Path(__file__).resolve().parents[1])
parser.add_argument('--strict-release', action='store_true', help='Also require recorded upload readiness.')
parser.add_argument('--include-large-data', action='store_true', help='Compatibility flag; graphs are always checked.')
args = parser.parse_args()
root = args.root.resolve()
manifest = json.loads((root / 'provenance/repository_files.json').read_text())
actual = files(root)
expected = {x['path']: x for x in manifest['files']}
errors = []
if set(actual) - EXCLUDED != set(expected):
errors.append({'error': 'missing or unmanifested upload files',
'missing': sorted(set(expected) - set(actual)),
'extra': sorted(set(actual) - EXCLUDED - set(expected))})
for name, rec in expected.items():
path = root / name
if not path.resolve().is_relative_to(root) or path.is_symlink():
errors.append({'path': name, 'error': 'unsafe path or symlink'})
elif not path.is_file():
errors.append({'path': name, 'error': 'missing'})
elif getattr(path.stat(), 'st_flags', 0) & 0x40000000:
errors.append({'path': name, 'error': 'cloud placeholder'})
elif path.stat().st_size != rec['bytes'] or digest(path) != rec['sha256']:
errors.append({'path': name, 'error': 'content mismatch'})
sums = {}
for line in (root / 'SHA256SUMS').read_text().splitlines():
sha, name = line.split(' ', 1)
sums[name] = sha
wanted_sums = {name: rec['sha256'] for name, rec in expected.items()}
wanted_sums['provenance/repository_files.json'] = digest(root / 'provenance/repository_files.json')
if sums != wanted_sums:
errors.append({'error': 'SHA256SUMS differs from the manifest'})
source = json.loads((root / 'provenance/source_copy_verification.json').read_text())
status = json.loads((root / 'provenance/release_status.json').read_text())
report = {'scope': 'Complete local HF upload payload, including all graph bytes; no scientific experiments',
'checked_files': len(expected), 'checked_bytes': sum(x['bytes'] for x in expected.values()),
'protein_graph_files': len([n for n in expected if n.startswith('data/external/protein_graphs_esmc_600m/')]),
'integrity_passed': not errors, 'errors': errors,
'source_bytes_verified': source['passed'],
'upload_payload_complete': status['upload_payload_complete'],
'publication_ready': status['publication_ready'],
'public_upload_performed': status.get('public_upload_performed', False),
'new_scientific_experiments': False}
print(json.dumps(report, indent=2))
return 1 if errors else 2 if args.strict_release and not status['publication_ready'] else 0
if __name__ == '__main__':
sys.exit(main())