dh-cli 0.12.1__tar.gz → 0.12.2__tar.gz

{dh_cli-0.12.1 → dh_cli-0.12.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: dh-cli
-Version: 0.12.1
+Version: 0.12.2
 Summary: Dayhoff Labs developer CLI
 Author-email: Dayhoff Labs <dev@dayhofflabs.com>
 License: # PolyForm Noncommercial License 1.0.0

{dh_cli-0.12.1 → dh_cli-0.12.2}/pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "hatchling.build"
 
 [project]
 name = "dh-cli"
-version = "0.12.1"
+version = "0.12.2"
 description = "Dayhoff Labs developer CLI"
 requires-python = ">=3.11"
 readme = "README.md"

{dh_cli-0.12.1 → dh_cli-0.12.2}/src/dh_cli/batch/commands/protmpnn.py

@@ -71,6 +71,11 @@ DEFAULT_IMAGE_URI = "074735440724.dkr.ecr.us-east-1.amazonaws.com/dayhoff:protmp
     is_flag=True,
     help="Save per-residue log probabilities to scores/ directory",
 )
+@click.option(
+    "--image",
+    default=None,
+    help="Override the container image URI or digest (e.g. repo@sha256:...)",
+)
 def protmpnn(
     input_dir,
     workers,
@@ -83,6 +88,7 @@ def protmpnn(
     after,
     auto_validate_top,
     save_score,
+    image,
 ):
     """Design protein sequences with ProtMPNN/LigandMPNN.
 
@@ -136,7 +142,7 @@ def protmpnn(
             _run_local_mode(input_path, auto_validate_top, base_path, save_score)
             return
 
-    _submit_batch_job(input_path, workers, queue, dry_run, base_path, after, auto_validate_top, save_score)
+    _submit_batch_job(input_path, workers, queue, dry_run, base_path, after, auto_validate_top, save_score, image)
 
 
 def _has_local_gpu() -> bool:
@@ -184,6 +190,7 @@ def _submit_batch_job(
     after: tuple[str, ...] = (),
     auto_validate_top: int | None = None,
     save_score: bool = False,
+    image: str | None = None,
 ):
     """Submit ProtMPNN job to AWS Batch."""
     click.echo(f"Scanning {input_path} for YAML files...")
@@ -236,7 +243,7 @@ def _submit_batch_job(
         user=job_id.split("-")[0],
         pipeline="protmpnn",
         status=JobStatus.PENDING,
-        image_uri=DEFAULT_IMAGE_URI,
+        image_uri=image or DEFAULT_IMAGE_URI,
         input=InputConfig(
             source=str(input_path),
             num_sequences=num_files,
@@ -282,6 +289,7 @@ def _submit_batch_job(
             retry_attempts=5,
             depends_on=depends_on,
             share_identifier=get_aws_username(),
+            image_override=image,
         )
 
         manifest.status = JobStatus.SUBMITTED