dh-cli 0.8.2__tar.gz → 0.8.4__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {dh_cli-0.8.2 → dh_cli-0.8.4}/PKG-INFO +1 -1
- {dh_cli-0.8.2 → dh_cli-0.8.4}/pyproject.toml +1 -1
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/aws_batch.py +19 -1
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/finalize.py +51 -1
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/submit.py +8 -1
- dh_cli-0.8.4/tests/batch/test_image_override.py +141 -0
- dh_cli-0.8.4/tests/batch/test_submit_image_validation.py +90 -0
- dh_cli-0.8.4/tests/test_finalize_boltz_tar.py +245 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/.gitignore +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/LICENSE +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/README.md +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/__init__.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/_identity.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/__init__.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/__init__.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/boltz.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/cancel.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/clean.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/embed_t5.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/list_jobs.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/local.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/logs.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/orca.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/protmpnn.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/protmpnn_to_boltz.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/retry.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/status.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/train.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/commands/wait_for.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/fasta_utils.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/h5_utils.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/job_id.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/manifest.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/batch/s3_transport.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/bedrock/__init__.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/bedrock/commands.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/bedrock/cost_report.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/bedrock/pricing.yaml +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/cloud_commands.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/codeartifact.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/engines_studios/__init__.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/engines_studios/api_client.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/engines_studios/auth.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/engines_studios/engine_commands.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/engines_studios/progress.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/engines_studios/ssh_config.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/engines_studios/studio_commands.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/github_commands.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/hz/__init__.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/hz/deploy.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/hz/local.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/hz/test.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/hz/tf.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/hz/users.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/main.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/utility_commands.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/src/dh_cli/warehouse.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/batch/__init__.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/batch/test_aws_batch_resources.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/batch/test_submit_cpu_only.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/batch/test_submit_merge.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/conftest.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/fixtures/A_cache_write.json +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/fixtures/B_cache_read.json +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/fixtures/C_plain.json +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/fixtures/D_cursor_user.json +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/fixtures/E_service_role.json +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/fixtures/F_legacy_shared.json +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/fixtures/G_unknown_model.json +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/test_build_report.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/test_classify_arn.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/test_cli_exit_codes.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/test_cost_calc.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/test_cost_command.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/test_cur_reconciliation.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/test_key_command.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/test_render_formats.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/test_resolve_base_model.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/bedrock/test_s3_walker.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/github/__init__.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/github/conftest.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/github/test_engine_role_cannot_read_github_pat.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/github/test_identity.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/github/test_login.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/github/test_login_error_paths.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/github/test_login_security.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/github/test_logout.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/github/test_rotate.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/github/test_status.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/hz/test_init.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/hz/test_suites.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/hz/test_users.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/test_cloud_gcp.py +0 -0
- {dh_cli-0.8.2 → dh_cli-0.8.4}/tests/test_finalize_protmpnn.py +0 -0
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@@ -17,6 +17,11 @@ from dh_cli.batch.manifest import (
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logger = logging.getLogger(__name__)
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_ECR_IMAGE_RE = re.compile(
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r"^\d{12}\.dkr\.ecr\.[a-z0-9-]+\.amazonaws\.com/[^:@\s]+"
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r"(?::[^\s]+|@sha256:[a-f0-9]{64})?$"
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)
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class BatchError(Exception):
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"""Error interacting with AWS Batch."""
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@@ -165,14 +170,27 @@ class BatchClient:
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create a new revision of the base definition with only the image
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changed, preserving all other containerProperties (roles, volumes, etc.).
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Returns the ARN of the new revision
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Returns the ARN of the new revision, or the ARN of the latest existing
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revision if its image already matches.
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"""
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if not _ECR_IMAGE_RE.match(image):
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raise BatchError(
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f"Image override must be a fully-qualified ECR URL "
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f"(<account>.dkr.ecr.<region>.amazonaws.com/<repo>[:tag|@digest]); "
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f"got: {image!r}"
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)
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resp = self.batch.describe_job_definitions(jobDefinitionName=base_definition, status="ACTIVE")
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definitions = resp.get("jobDefinitions", [])
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if not definitions:
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raise BatchError(f"Job definition not found: {base_definition}")
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latest = sorted(definitions, key=lambda d: d["revision"])[-1]
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if latest["containerProperties"].get("image") == image:
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arn = latest["jobDefinitionArn"]
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logger.info(f"Reusing job definition {arn}; image already matches {image}")
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return arn
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container_props = latest["containerProperties"].copy()
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container_props["image"] = image
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"""Finalize command for combining results and cleaning up."""
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import shutil
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import tarfile
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s3_temp_dir = Path(tempfile.mkdtemp())
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click.echo("Downloading outputs from S3...")
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_download_boltz_s3_output(s3_output_prefix, s3_temp_dir)
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else:
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download_directory(s3_output_prefix, s3_temp_dir)
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output_dir = s3_temp_dir
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output_dir = job_dir / "output"
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click.echo(f"Job directory preserved: {job_dir}")
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def _download_boltz_s3_output(s3_output_prefix: str, local_dir: Path) -> None:
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"""Download Boltz tar outputs from S3 and extract into local_dir.
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Workers produce one `boltz_results_<name>.tar` per prediction plus
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`boltz_*.done` marker objects. This helper downloads only those keys
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(ignoring anything else under the prefix), extracts each tar in place,
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and removes the tar file afterwards so the resulting layout matches
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what `_finalize_boltz` expects on Primordial.
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Args:
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s3_output_prefix: S3 URI prefix like s3://bucket/jobs/<id>/output/
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local_dir: Local directory to extract into
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"""
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from ..s3_transport import _get_client, parse_s3_uri
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bucket, prefix_key = parse_s3_uri(s3_output_prefix)
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local_dir.mkdir(parents=True, exist_ok=True)
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paginator = client.get_paginator("list_objects_v2")
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tar_count = 0
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done_count = 0
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for page in paginator.paginate(Bucket=bucket, Prefix=prefix_key):
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for obj in page.get("Contents", []):
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key = obj["Key"]
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continue
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basename = Path(relative).name
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if basename.startswith("boltz_results_") and basename.endswith(".tar"):
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tar_path = local_dir / basename
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client.download_file(bucket, key, str(tar_path))
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try:
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with tarfile.open(tar_path, mode="r") as tf:
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tf.extractall(local_dir)
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finally:
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tar_path.unlink(missing_ok=True)
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tar_count += 1
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done_path = local_dir / basename
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client.download_file(bucket, key, str(done_path))
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done_count += 1
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click.echo(f" Downloaded {tar_count} prediction tars, {done_count} done markers")
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def _check_completion(job_id: str, base_path: str, output_dir: Path | None = None) -> list[int]:
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"""Check which chunks are incomplete (no .done marker).
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from ..aws_batch import BatchClient, BatchError, resolve_dependency
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from ..aws_batch import _ECR_IMAGE_RE, BatchClient, BatchError, resolve_dependency
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from ..manifest import (
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BATCH_JOBS_BASE,
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if job_image and not _ECR_IMAGE_RE.match(job_image):
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raise click.BadParameter(
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f"(<account>.dkr.ecr.<region>.amazonaws.com/<repo>[:tag|@digest]); "
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f"got: {job_image!r}",
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param_hint="--image",
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)
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# Parse environment variables
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"""Tests for BatchClient._register_image_override.
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Pins two contracts:
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1. Bare names (anything not a fully-qualified ECR URL) are rejected, so
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typos like ``dh batch submit --image dayhoff-generic`` cannot drift the
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floating ref by registering a revision pointing at Docker Hub.
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no new revision is registered — the existing ARN is returned. Without
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"""
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from unittest.mock import MagicMock, patch
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def _make_client():
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mock_batch = MagicMock()
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mock_logs = MagicMock()
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+
_ECR_URL = "123456789012.dkr.ecr.us-east-1.amazonaws.com/dayhoff-generic:abc123"
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30
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+
|
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31
|
+
|
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32
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+
class TestImageValidation:
|
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33
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+
"""Bare image names must be rejected before any AWS call."""
|
|
34
|
+
|
|
35
|
+
@pytest.mark.parametrize(
|
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36
|
+
"bad_image",
|
|
37
|
+
[
|
|
38
|
+
"dayhoff-generic",
|
|
39
|
+
"dayhoff-generic:latest",
|
|
40
|
+
"docker.io/library/python:3.12",
|
|
41
|
+
"ghcr.io/foo/bar:1.0",
|
|
42
|
+
"123456789012.dkr.ecr.us-east-1.amazonaws.com/dayhoff-generic with-space",
|
|
43
|
+
],
|
|
44
|
+
)
|
|
45
|
+
def test_rejects_non_ecr_image(self, bad_image):
|
|
46
|
+
from dh_cli.batch.aws_batch import BatchError
|
|
47
|
+
|
|
48
|
+
client, mock_batch = _make_client()
|
|
49
|
+
with pytest.raises(BatchError, match="fully-qualified ECR URL"):
|
|
50
|
+
client._register_image_override("dayhoff-generic", bad_image)
|
|
51
|
+
|
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52
|
+
mock_batch.describe_job_definitions.assert_not_called()
|
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53
|
+
mock_batch.register_job_definition.assert_not_called()
|
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54
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+
|
|
55
|
+
@pytest.mark.parametrize(
|
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56
|
+
"good_image",
|
|
57
|
+
[
|
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58
|
+
"123456789012.dkr.ecr.us-east-1.amazonaws.com/dayhoff-generic:abc123",
|
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59
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+
"123456789012.dkr.ecr.us-west-2.amazonaws.com/foo/bar:latest",
|
|
60
|
+
"123456789012.dkr.ecr.us-east-1.amazonaws.com/x@sha256:"
|
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61
|
+
+ "a" * 64,
|
|
62
|
+
],
|
|
63
|
+
)
|
|
64
|
+
def test_accepts_ecr_url(self, good_image):
|
|
65
|
+
client, mock_batch = _make_client()
|
|
66
|
+
mock_batch.describe_job_definitions.return_value = {
|
|
67
|
+
"jobDefinitions": [
|
|
68
|
+
{
|
|
69
|
+
"jobDefinitionArn": "arn:aws:batch:...:job-definition/dayhoff-generic:1",
|
|
70
|
+
"revision": 1,
|
|
71
|
+
"type": "container",
|
|
72
|
+
"containerProperties": {"image": "old-image"},
|
|
73
|
+
}
|
|
74
|
+
]
|
|
75
|
+
}
|
|
76
|
+
mock_batch.register_job_definition.return_value = {
|
|
77
|
+
"jobDefinitionArn": "arn:aws:batch:...:job-definition/dayhoff-generic:2"
|
|
78
|
+
}
|
|
79
|
+
|
|
80
|
+
client._register_image_override("dayhoff-generic", good_image)
|
|
81
|
+
mock_batch.register_job_definition.assert_called_once()
|
|
82
|
+
|
|
83
|
+
|
|
84
|
+
class TestNoOpReuse:
|
|
85
|
+
"""If latest revision already matches the requested image, reuse it."""
|
|
86
|
+
|
|
87
|
+
def test_reuses_latest_when_image_matches(self):
|
|
88
|
+
client, mock_batch = _make_client()
|
|
89
|
+
mock_batch.describe_job_definitions.return_value = {
|
|
90
|
+
"jobDefinitions": [
|
|
91
|
+
{
|
|
92
|
+
"jobDefinitionArn": "arn:...:job-definition/dayhoff-generic:42",
|
|
93
|
+
"revision": 42,
|
|
94
|
+
"type": "container",
|
|
95
|
+
"containerProperties": {"image": _ECR_URL},
|
|
96
|
+
},
|
|
97
|
+
{
|
|
98
|
+
"jobDefinitionArn": "arn:...:job-definition/dayhoff-generic:41",
|
|
99
|
+
"revision": 41,
|
|
100
|
+
"type": "container",
|
|
101
|
+
"containerProperties": {"image": "older"},
|
|
102
|
+
},
|
|
103
|
+
]
|
|
104
|
+
}
|
|
105
|
+
|
|
106
|
+
arn = client._register_image_override("dayhoff-generic", _ECR_URL)
|
|
107
|
+
|
|
108
|
+
assert arn == "arn:...:job-definition/dayhoff-generic:42"
|
|
109
|
+
mock_batch.register_job_definition.assert_not_called()
|
|
110
|
+
|
|
111
|
+
def test_registers_new_revision_when_image_differs(self):
|
|
112
|
+
client, mock_batch = _make_client()
|
|
113
|
+
mock_batch.describe_job_definitions.return_value = {
|
|
114
|
+
"jobDefinitions": [
|
|
115
|
+
{
|
|
116
|
+
"jobDefinitionArn": "arn:...:job-definition/dayhoff-generic:42",
|
|
117
|
+
"revision": 42,
|
|
118
|
+
"type": "container",
|
|
119
|
+
"containerProperties": {"image": "different-image"},
|
|
120
|
+
}
|
|
121
|
+
]
|
|
122
|
+
}
|
|
123
|
+
mock_batch.register_job_definition.return_value = {
|
|
124
|
+
"jobDefinitionArn": "arn:...:job-definition/dayhoff-generic:43"
|
|
125
|
+
}
|
|
126
|
+
|
|
127
|
+
arn = client._register_image_override("dayhoff-generic", _ECR_URL)
|
|
128
|
+
|
|
129
|
+
assert arn == "arn:...:job-definition/dayhoff-generic:43"
|
|
130
|
+
mock_batch.register_job_definition.assert_called_once()
|
|
131
|
+
kwargs = mock_batch.register_job_definition.call_args[1]
|
|
132
|
+
assert kwargs["containerProperties"]["image"] == _ECR_URL
|
|
133
|
+
|
|
134
|
+
def test_raises_when_no_active_definition(self):
|
|
135
|
+
from dh_cli.batch.aws_batch import BatchError
|
|
136
|
+
|
|
137
|
+
client, mock_batch = _make_client()
|
|
138
|
+
mock_batch.describe_job_definitions.return_value = {"jobDefinitions": []}
|
|
139
|
+
|
|
140
|
+
with pytest.raises(BatchError, match="Job definition not found"):
|
|
141
|
+
client._register_image_override("dayhoff-generic", _ECR_URL)
|
|
@@ -0,0 +1,90 @@
|
|
|
1
|
+
"""CLI-layer image validation tests for `dh batch submit`.
|
|
2
|
+
|
|
3
|
+
Pins the contract: a non-ECR --image (or YAML image: ...) is rejected at
|
|
4
|
+
parse time, before any AWS call. Without this, bare names like
|
|
5
|
+
``--image dayhoff-generic`` reach BatchClient and silently mint a JD
|
|
6
|
+
revision pointing at Docker Hub.
|
|
7
|
+
"""
|
|
8
|
+
|
|
9
|
+
from unittest.mock import MagicMock, patch
|
|
10
|
+
|
|
11
|
+
import pytest
|
|
12
|
+
import yaml
|
|
13
|
+
from click.testing import CliRunner
|
|
14
|
+
|
|
15
|
+
|
|
16
|
+
@pytest.fixture
|
|
17
|
+
def cli_runner():
|
|
18
|
+
return CliRunner()
|
|
19
|
+
|
|
20
|
+
|
|
21
|
+
def _invoke(cli_runner, args, tmp_path):
|
|
22
|
+
base = tmp_path / "jobs"
|
|
23
|
+
with (
|
|
24
|
+
patch("dh_cli.batch.commands.submit.get_aws_username", return_value="jason"),
|
|
25
|
+
patch("dh_cli.batch.commands.submit.BatchClient") as mock_batch_cls,
|
|
26
|
+
patch(
|
|
27
|
+
"dh_cli.batch.commands.submit.generate_job_id",
|
|
28
|
+
return_value="jason-batch-20260519-img00001",
|
|
29
|
+
),
|
|
30
|
+
):
|
|
31
|
+
mock_client = MagicMock()
|
|
32
|
+
mock_client.submit_job.return_value = "aws-uuid-img"
|
|
33
|
+
mock_batch_cls.return_value = mock_client
|
|
34
|
+
|
|
35
|
+
from dh_cli.batch.commands.submit import submit
|
|
36
|
+
|
|
37
|
+
result = cli_runner.invoke(submit, args + ["--base-path", str(base)])
|
|
38
|
+
return result, mock_client, mock_batch_cls
|
|
39
|
+
|
|
40
|
+
|
|
41
|
+
class TestCliImageValidation:
|
|
42
|
+
@pytest.mark.parametrize(
|
|
43
|
+
"bad_image",
|
|
44
|
+
["dayhoff-generic", "dayhoff-generic:latest", "ghcr.io/foo/bar:1.0"],
|
|
45
|
+
)
|
|
46
|
+
def test_bare_image_rejected_before_submit(self, cli_runner, tmp_path, bad_image):
|
|
47
|
+
result, _, mock_batch_cls = _invoke(
|
|
48
|
+
cli_runner,
|
|
49
|
+
["--command", "echo hi", "--image", bad_image],
|
|
50
|
+
tmp_path,
|
|
51
|
+
)
|
|
52
|
+
assert result.exit_code != 0
|
|
53
|
+
assert "fully-qualified ECR URL" in result.output
|
|
54
|
+
mock_batch_cls.assert_not_called()
|
|
55
|
+
|
|
56
|
+
def test_yaml_bare_image_rejected_before_submit(self, cli_runner, tmp_path):
|
|
57
|
+
config_path = tmp_path / "job.yaml"
|
|
58
|
+
config_path.write_text(
|
|
59
|
+
yaml.dump(
|
|
60
|
+
{
|
|
61
|
+
"command": "echo hi",
|
|
62
|
+
"image": "dayhoff-generic",
|
|
63
|
+
}
|
|
64
|
+
)
|
|
65
|
+
)
|
|
66
|
+
result, _, mock_batch_cls = _invoke(
|
|
67
|
+
cli_runner, ["-f", str(config_path)], tmp_path
|
|
68
|
+
)
|
|
69
|
+
assert result.exit_code != 0
|
|
70
|
+
assert "fully-qualified ECR URL" in result.output
|
|
71
|
+
mock_batch_cls.assert_not_called()
|
|
72
|
+
|
|
73
|
+
def test_valid_ecr_url_accepted(self, cli_runner, tmp_path):
|
|
74
|
+
good = "123456789012.dkr.ecr.us-east-1.amazonaws.com/dayhoff-generic:abc"
|
|
75
|
+
result, mock_client, _ = _invoke(
|
|
76
|
+
cli_runner,
|
|
77
|
+
["--command", "echo hi", "--image", good],
|
|
78
|
+
tmp_path,
|
|
79
|
+
)
|
|
80
|
+
assert result.exit_code == 0, result.output
|
|
81
|
+
call_kwargs = mock_client.submit_job.call_args[1]
|
|
82
|
+
assert call_kwargs["image_override"] == good
|
|
83
|
+
|
|
84
|
+
def test_no_image_skips_validation(self, cli_runner, tmp_path):
|
|
85
|
+
result, mock_client, _ = _invoke(
|
|
86
|
+
cli_runner, ["--command", "echo hi"], tmp_path
|
|
87
|
+
)
|
|
88
|
+
assert result.exit_code == 0, result.output
|
|
89
|
+
call_kwargs = mock_client.submit_job.call_args[1]
|
|
90
|
+
assert call_kwargs.get("image_override") is None
|
|
@@ -0,0 +1,245 @@
|
|
|
1
|
+
"""Tests for the Boltz S3 tar-aware finalize download path.
|
|
2
|
+
|
|
3
|
+
When a Boltz job was run in S3 mode, workers upload one
|
|
4
|
+
`boltz_results_<name>.tar` per prediction (plus per-worker done markers).
|
|
5
|
+
Finalize must download those tars, extract them into `boltz_results_*/`
|
|
6
|
+
directories matching the legacy on-disk layout, and leave the existing
|
|
7
|
+
`_finalize_boltz` logic untouched.
|
|
8
|
+
|
|
9
|
+
See plan: nutshell/plans/dma/05_2026/0512_boltz_s3_fanout_and_cross_az_dig.md.
|
|
10
|
+
"""
|
|
11
|
+
|
|
12
|
+
import tarfile
|
|
13
|
+
import tempfile
|
|
14
|
+
from pathlib import Path
|
|
15
|
+
from unittest.mock import MagicMock, patch
|
|
16
|
+
|
|
17
|
+
import pytest
|
|
18
|
+
|
|
19
|
+
from dh_cli.batch.commands.finalize import _download_boltz_s3_output
|
|
20
|
+
|
|
21
|
+
|
|
22
|
+
@pytest.fixture
|
|
23
|
+
def temp_dir():
|
|
24
|
+
with tempfile.TemporaryDirectory() as tmpdir:
|
|
25
|
+
yield Path(tmpdir)
|
|
26
|
+
|
|
27
|
+
|
|
28
|
+
def _build_essential_tar(tar_path: Path, complex_name: str) -> None:
|
|
29
|
+
"""Build a boltz_results_<name>.tar like the worker produces."""
|
|
30
|
+
with tempfile.TemporaryDirectory() as src:
|
|
31
|
+
src_p = Path(src)
|
|
32
|
+
pred_subdir = src_p / f"boltz_results_{complex_name}" / "predictions" / complex_name
|
|
33
|
+
pred_subdir.mkdir(parents=True)
|
|
34
|
+
(pred_subdir / f"{complex_name}_model_0.cif").write_text(f"CIF {complex_name}\n")
|
|
35
|
+
(pred_subdir / f"confidence_{complex_name}_model_0.json").write_text(f'{{"cx":"{complex_name}"}}')
|
|
36
|
+
with tarfile.open(tar_path, mode="w") as tf:
|
|
37
|
+
root = src_p / f"boltz_results_{complex_name}"
|
|
38
|
+
for f in sorted(root.rglob("*")):
|
|
39
|
+
if f.is_file():
|
|
40
|
+
tf.add(f, arcname=f"boltz_results_{complex_name}/{f.relative_to(root)}")
|
|
41
|
+
|
|
42
|
+
|
|
43
|
+
def _make_mock_s3_client(objects: dict[str, bytes]) -> MagicMock:
|
|
44
|
+
"""Build a boto3 S3 client mock backed by an in-memory bucket.
|
|
45
|
+
|
|
46
|
+
`objects` is a mapping of key -> bytes. The mock implements:
|
|
47
|
+
- list_objects_v2 (via a paginator)
|
|
48
|
+
- download_file (writes object bytes to the local path)
|
|
49
|
+
"""
|
|
50
|
+
client = MagicMock()
|
|
51
|
+
|
|
52
|
+
def _paginate(Bucket, Prefix, **kwargs):
|
|
53
|
+
matching = [k for k in objects if k.startswith(Prefix)]
|
|
54
|
+
yield {"Contents": [{"Key": k} for k in sorted(matching)]}
|
|
55
|
+
|
|
56
|
+
paginator = MagicMock()
|
|
57
|
+
paginator.paginate.side_effect = _paginate
|
|
58
|
+
client.get_paginator.return_value = paginator
|
|
59
|
+
|
|
60
|
+
def _download_file(bucket, key, local_path, *args, **kwargs):
|
|
61
|
+
Path(local_path).parent.mkdir(parents=True, exist_ok=True)
|
|
62
|
+
Path(local_path).write_bytes(objects[key])
|
|
63
|
+
|
|
64
|
+
client.download_file.side_effect = _download_file
|
|
65
|
+
return client
|
|
66
|
+
|
|
67
|
+
|
|
68
|
+
class TestDownloadsAndExtracts:
|
|
69
|
+
def test_downloads_tars_and_extracts(self, temp_dir):
|
|
70
|
+
tar_a = temp_dir / "A.tar"
|
|
71
|
+
tar_b = temp_dir / "B.tar"
|
|
72
|
+
_build_essential_tar(tar_a, "A")
|
|
73
|
+
_build_essential_tar(tar_b, "B")
|
|
74
|
+
|
|
75
|
+
objects = {
|
|
76
|
+
"jobs/j/output/boltz_results_A.tar": tar_a.read_bytes(),
|
|
77
|
+
"jobs/j/output/boltz_results_B.tar": tar_b.read_bytes(),
|
|
78
|
+
"jobs/j/output/boltz_0.done": b"",
|
|
79
|
+
}
|
|
80
|
+
client = _make_mock_s3_client(objects)
|
|
81
|
+
|
|
82
|
+
dest = temp_dir / "extracted"
|
|
83
|
+
dest.mkdir()
|
|
84
|
+
|
|
85
|
+
with patch("dh_cli.batch.s3_transport._get_client", return_value=client):
|
|
86
|
+
_download_boltz_s3_output("s3://bucket/jobs/j/output/", dest)
|
|
87
|
+
|
|
88
|
+
assert (dest / "boltz_results_A" / "predictions" / "A" / "A_model_0.cif").read_text() == "CIF A\n"
|
|
89
|
+
assert (dest / "boltz_results_B" / "predictions" / "B" / "B_model_0.cif").read_text() == "CIF B\n"
|
|
90
|
+
assert (dest / "boltz_0.done").exists()
|
|
91
|
+
|
|
92
|
+
def test_local_tar_cleaned_up_after_extract(self, temp_dir):
|
|
93
|
+
tar_a = temp_dir / "A.tar"
|
|
94
|
+
_build_essential_tar(tar_a, "A")
|
|
95
|
+
objects = {"jobs/j/output/boltz_results_A.tar": tar_a.read_bytes()}
|
|
96
|
+
client = _make_mock_s3_client(objects)
|
|
97
|
+
|
|
98
|
+
dest = temp_dir / "extracted"
|
|
99
|
+
dest.mkdir()
|
|
100
|
+
|
|
101
|
+
with patch("dh_cli.batch.s3_transport._get_client", return_value=client):
|
|
102
|
+
_download_boltz_s3_output("s3://bucket/jobs/j/output/", dest)
|
|
103
|
+
|
|
104
|
+
leftover = list(dest.rglob("*.tar"))
|
|
105
|
+
assert leftover == []
|
|
106
|
+
|
|
107
|
+
def test_ignores_non_tar_non_done_keys(self, temp_dir):
|
|
108
|
+
"""Extra objects in the output prefix that aren't tars or done markers are ignored."""
|
|
109
|
+
tar_a = temp_dir / "A.tar"
|
|
110
|
+
_build_essential_tar(tar_a, "A")
|
|
111
|
+
objects = {
|
|
112
|
+
"jobs/j/output/boltz_results_A.tar": tar_a.read_bytes(),
|
|
113
|
+
"jobs/j/output/stray.txt": b"ignore me",
|
|
114
|
+
"jobs/j/output/notes/readme.md": b"also ignored",
|
|
115
|
+
}
|
|
116
|
+
client = _make_mock_s3_client(objects)
|
|
117
|
+
|
|
118
|
+
dest = temp_dir / "extracted"
|
|
119
|
+
dest.mkdir()
|
|
120
|
+
|
|
121
|
+
with patch("dh_cli.batch.s3_transport._get_client", return_value=client):
|
|
122
|
+
_download_boltz_s3_output("s3://bucket/jobs/j/output/", dest)
|
|
123
|
+
|
|
124
|
+
assert (dest / "boltz_results_A" / "predictions" / "A" / "A_model_0.cif").exists()
|
|
125
|
+
assert not (dest / "stray.txt").exists()
|
|
126
|
+
assert not (dest / "notes").exists()
|
|
127
|
+
|
|
128
|
+
|
|
129
|
+
class TestRoundTrip:
|
|
130
|
+
def test_worker_to_finalize_bit_identical(self, temp_dir):
|
|
131
|
+
"""Worker's sync_boltz_essential_to_s3 output -> finalize download -> same bytes."""
|
|
132
|
+
from dh_batch.s3_sync import sync_boltz_essential_to_s3
|
|
133
|
+
|
|
134
|
+
job_dir = temp_dir / "job"
|
|
135
|
+
output_dir = job_dir / "output"
|
|
136
|
+
pred_a = output_dir / "boltz_results_A" / "predictions" / "A"
|
|
137
|
+
pred_a.mkdir(parents=True)
|
|
138
|
+
(pred_a / "A_model_0.cif").write_text("CIF ROUNDTRIP\n")
|
|
139
|
+
(pred_a / "confidence_A_model_0.json").write_text('{"r":1}')
|
|
140
|
+
(output_dir / "boltz_0.done").write_text("ok")
|
|
141
|
+
|
|
142
|
+
uploaded: dict[str, bytes] = {}
|
|
143
|
+
worker_client = MagicMock()
|
|
144
|
+
|
|
145
|
+
def _upload_file(local_path, bucket, key, *args, **kwargs):
|
|
146
|
+
uploaded[key] = Path(local_path).read_bytes()
|
|
147
|
+
|
|
148
|
+
worker_client.upload_file.side_effect = _upload_file
|
|
149
|
+
|
|
150
|
+
with patch("dh_batch.s3_transport._get_client", return_value=worker_client):
|
|
151
|
+
sync_boltz_essential_to_s3(job_dir, "s3://bucket/jobs/j/")
|
|
152
|
+
|
|
153
|
+
finalize_client = _make_mock_s3_client(uploaded)
|
|
154
|
+
dest = temp_dir / "extracted"
|
|
155
|
+
dest.mkdir()
|
|
156
|
+
|
|
157
|
+
with patch("dh_cli.batch.s3_transport._get_client", return_value=finalize_client):
|
|
158
|
+
_download_boltz_s3_output("s3://bucket/jobs/j/output/", dest)
|
|
159
|
+
|
|
160
|
+
cif = dest / "boltz_results_A" / "predictions" / "A" / "A_model_0.cif"
|
|
161
|
+
conf = dest / "boltz_results_A" / "predictions" / "A" / "confidence_A_model_0.json"
|
|
162
|
+
done = dest / "boltz_0.done"
|
|
163
|
+
|
|
164
|
+
assert cif.read_text() == "CIF ROUNDTRIP\n"
|
|
165
|
+
assert conf.read_text() == '{"r":1}'
|
|
166
|
+
assert done.read_text() == "ok"
|
|
167
|
+
|
|
168
|
+
|
|
169
|
+
class TestFinalizeDispatches:
|
|
170
|
+
def test_boltz_s3_uses_tar_path(self, temp_dir):
|
|
171
|
+
"""`dh batch finalize` for Boltz in S3 mode calls the tar-aware helper, not download_directory."""
|
|
172
|
+
from dh_cli.batch.commands.finalize import finalize as finalize_cmd
|
|
173
|
+
from dh_cli.batch.manifest import JobManifest, JobStatus
|
|
174
|
+
|
|
175
|
+
manifest = JobManifest(
|
|
176
|
+
job_id="test-boltz",
|
|
177
|
+
user="tester",
|
|
178
|
+
pipeline="boltz",
|
|
179
|
+
storage_mode="s3",
|
|
180
|
+
status=JobStatus.SUCCEEDED,
|
|
181
|
+
s3_prefix="s3://bucket/jobs/test-boltz/",
|
|
182
|
+
)
|
|
183
|
+
|
|
184
|
+
from click.testing import CliRunner
|
|
185
|
+
|
|
186
|
+
runner = CliRunner()
|
|
187
|
+
|
|
188
|
+
with patch("dh_cli.batch.commands.finalize.load_manifest", return_value=manifest):
|
|
189
|
+
with patch("dh_cli.batch.commands.finalize._download_boltz_s3_output") as mock_tar_download:
|
|
190
|
+
with patch("dh_cli.batch.commands.finalize._check_completion", return_value=[]):
|
|
191
|
+
with patch("dh_cli.batch.commands.finalize._finalize_boltz") as mock_fb:
|
|
192
|
+
with patch("dh_cli.batch.commands.finalize.save_manifest_s3"):
|
|
193
|
+
result = runner.invoke(
|
|
194
|
+
finalize_cmd,
|
|
195
|
+
[
|
|
196
|
+
"test-boltz",
|
|
197
|
+
"--output",
|
|
198
|
+
str(temp_dir / "final"),
|
|
199
|
+
"--keep-intermediates",
|
|
200
|
+
],
|
|
201
|
+
input="y\n",
|
|
202
|
+
)
|
|
203
|
+
|
|
204
|
+
assert result.exit_code == 0, result.output
|
|
205
|
+
assert mock_tar_download.called, "tar-aware download helper must be called for Boltz S3"
|
|
206
|
+
assert mock_fb.called
|
|
207
|
+
|
|
208
|
+
def test_non_boltz_s3_uses_download_directory(self, temp_dir):
|
|
209
|
+
"""Non-Boltz pipelines (e.g. embed-t5) in S3 mode keep using download_directory."""
|
|
210
|
+
from dh_cli.batch.commands.finalize import finalize as finalize_cmd
|
|
211
|
+
from dh_cli.batch.manifest import JobManifest, JobStatus
|
|
212
|
+
|
|
213
|
+
manifest = JobManifest(
|
|
214
|
+
job_id="test-embed",
|
|
215
|
+
user="tester",
|
|
216
|
+
pipeline="embed-t5",
|
|
217
|
+
storage_mode="s3",
|
|
218
|
+
status=JobStatus.SUCCEEDED,
|
|
219
|
+
s3_prefix="s3://bucket/jobs/test-embed/",
|
|
220
|
+
)
|
|
221
|
+
|
|
222
|
+
from click.testing import CliRunner
|
|
223
|
+
|
|
224
|
+
runner = CliRunner()
|
|
225
|
+
|
|
226
|
+
with patch("dh_cli.batch.commands.finalize.load_manifest", return_value=manifest):
|
|
227
|
+
with patch("dh_cli.batch.commands.finalize._download_boltz_s3_output") as mock_tar_download:
|
|
228
|
+
with patch("dh_cli.batch.s3_transport.download_directory") as mock_dd:
|
|
229
|
+
with patch("dh_cli.batch.commands.finalize._check_completion", return_value=[]):
|
|
230
|
+
with patch("dh_cli.batch.commands.finalize._finalize_embeddings") as mock_fe:
|
|
231
|
+
with patch("dh_cli.batch.commands.finalize.save_manifest_s3"):
|
|
232
|
+
result = runner.invoke(
|
|
233
|
+
finalize_cmd,
|
|
234
|
+
[
|
|
235
|
+
"test-embed",
|
|
236
|
+
"--output",
|
|
237
|
+
str(temp_dir / "out.h5"),
|
|
238
|
+
"--keep-intermediates",
|
|
239
|
+
],
|
|
240
|
+
)
|
|
241
|
+
|
|
242
|
+
assert result.exit_code == 0, result.output
|
|
243
|
+
assert mock_dd.called, "non-Boltz pipelines should keep using download_directory"
|
|
244
|
+
assert not mock_tar_download.called, "tar-aware helper must not fire for embed-t5"
|
|
245
|
+
assert mock_fe.called
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|
|
File without changes
|