fix: overhaul the platform skeleton, add a serverless deployment track

An end-to-end audit found the repo could not build, test or run as shipped. This
fixes every finding, then adds a Cloud Run track so the demo costs about £1/month
idle instead of ~£150.

CI (red on its first run)
- api: setuptools could not build the package (flat layout with app/ and alembic/)
- web: missing @types/node; `vitest run` exited 1 with no test files
- pipeline: the stub run needed a gitignored VCF, and no process had a stub block
- ruff pinned, mypy configured, DB tests on real Postgres (pgserver locally, service in CI)

ML serving (scores were meaningless)
- the registered model now carries its own feature engineering and returns predict_proba,
  so serving sends raw columns and cannot drift from training
- resolve by registry alias (stages are deprecated in MLflow 3) and record the real
  version; re-scoring upserts instead of failing on the unique constraint
- ClinVar labels parsed from VEP's lowercase terms

Pipeline
- exact ref/alt recovered from a CHROM_POS_REF_ALT VCF ID; loading is idempotent
- job status reaches running/failed/succeeded, so the UI stops polling dead jobs
- DATABASE_URL travels in the environment or a Nextflow secret, never on a command line
- VEP cache and plugins staged as inputs; the gcp profile runs tasks on Google Batch

Deployment
- the API serves /api (matching the ingress); the web app reads its API URL at runtime
- migrations run in an init container under a Postgres advisory lock
- terraform: custom VPC shared with Batch, private Cloud SQL, API enablement, Workload
  Identity bindings, Secret Manager, deletion protection
- serverless track, now the default: Cloud Run services scaling to zero, a Cloud Run job
  for the Nextflow driver, and Neon or Cloud SQL behind one DATABASE_URL secret. GKE and
  Argo remain, behind -var deploy_kubernetes=true. See docs/cloud.md.

Correctness and security
- 409 on duplicate sample names, 422 on bad paging, natural chromosome ordering, wider
  VEP text columns, enum dropped on downgrade, the sample's assembly actually used
- vcf_uri restricted to gs:// objects or files under the data root, blocking option injection
- CORS restricted to configured origins; `make down` no longer deletes volumes

Data
- docs/data.md records the peer-reviewed, openly licensed sources (GIAB HG002, ClinVar,
  gnomAD) with citations and an honest evaluation plan; `make data` fetches a chr22 slice

Verified: api 50 tests, ml 18, loader 16, web 12; ruff, mypy, svelte-check, terraform
validate and both kustomize overlays clean.
This commit is contained in:
Kemal Yaylali
2026-09-12 07:21:11 +01:00
parent 5463f489a3
commit 11fb6b3d73
100 changed files with 3431 additions and 340 deletions
+49 -14
View File
@@ -3,30 +3,59 @@
```mermaid
flowchart LR
U[Scientist] -->|browser| W[SvelteKit web]
W -->|REST| A[FastAPI]
W -->|REST /api| A[FastAPI]
A --> P[(PostgreSQL / Cloud SQL)]
A -->|publish vcf-uploaded| Q[Pub/Sub]
Q --> E[Argo Events sensor]
E --> AW[Argo Workflow]
AW --> NF[Nextflow: bcftools norm, VEP, load_db]
NF -->|reads VCF| G[(GCS bucket)]
NF -->|writes variants| P
A -->|models:/rarelens-pathogenicity| M[MLflow registry]
T[ml/train.py on GKE, optional GPU] --> M
E --> AW[Argo Workflow: Nextflow driver]
AW -->|tasks| B[Google Batch: bcftools norm, VEP, load_db]
B -->|reads VCF, VEP cache| G[(GCS bucket)]
B -->|writes variants, marks job succeeded| P
AW -.->|exit handler marks job failed| P
A -->|models:/rarelens-pathogenicity@production| M[MLflow registry]
T[ml/train.py] --> M
GH[GitHub Actions] -->|images via WIF| AR[Artifact Registry]
GH -->|bumps overlay tags| R[(git: infra/k8s/overlays/gcp)]
R --> CD[ArgoCD] --> K[GKE Autopilot]
```
## Two deployment tracks
The same images and the same pipeline, deployed two ways (`infra/terraform/variables.tf`):
| | Serverless (default) | Kubernetes (`-var deploy_kubernetes=true`) |
|---|---|---|
| api, web | Cloud Run, scale to zero | Deployments behind an ingress |
| dispatch | the API executes a Cloud Run job | Pub/Sub -> Argo Events -> Argo Workflow |
| pipeline tasks | Google Batch | Google Batch |
| `/api` routing | the web service proxies it | the ingress routes it |
| idle cost | ~£1/month | ~£130+/month |
`app.services.events.launch()` picks the dispatch backend from configuration: a Cloud Run job when
`CLOUDRUN_JOB` is set, Pub/Sub when `PUBSUB_TOPIC` is, and a local Nextflow process otherwise.
See [cloud.md](cloud.md) for why the serverless one is the default.
## Why these choices
**One monorepo.** The four components share a schema (`variants` table, feature columns) and the
point of the exercise is to see them evolve together. Separate repos would hide the coupling.
**Nextflow for the science, Argo Workflows for the trigger.** Nextflow is the lingua franca for
bioinformatics pipelines and has a native Kubernetes executor. Argo is what the platform team
already runs. So Argo owns *when* a pipeline runs; Nextflow owns *what* it does. The API never
talks to Kubernetes directly; it publishes an event and gets on with its life.
bioinformatics pipelines. Argo is what the platform team already runs. So Argo owns *when* a
pipeline runs; Nextflow owns *what* it does. The API never talks to Kubernetes directly; it
publishes an event and gets on with its life. The Nextflow driver runs in the Argo pod and sends
each task to Google Batch: a `gs://` work directory needs an executor that stages through GCS
(Nextflow's Kubernetes executor needs a shared ReadWriteMany volume instead).
**Job lifecycle.** The API creates a job as `running` once the pipeline is dispatched, or `failed`
with the reason in `jobs.log` when dispatch is impossible. The loader marks it `succeeded` in the
same transaction that stores the variants. Anything else (Nextflow error, eviction) is caught by
the Argo exit handler, or locally by the API watching the Nextflow process, and marked `failed`,
so the UI never polls a dead job.
**Variant identity.** NORMALISE sets each VCF ID to `CHROM_POS_REF_ALT`; VEP echoes it as
`Uploaded_variation` and the loader takes exact VCF alleles from it, because VEP's own
`Location`/`Allele` columns trim indel alleles.
**FastAPI + Pydantic v2 + SQLAlchemy 2.0 async.** Typed at both boundaries: request/response models
and ORM models are separate on purpose so the database can change without breaking the frontend
@@ -35,15 +64,21 @@ because the pipeline container should not import the API.
**SvelteKit.** Small runtime, no virtual DOM, and Svelte 5 runes make server-driven state simple.
The UI has exactly two pages; the goal is a table a scientist actually wants to filter, not a dashboard.
`PUBLIC_API_URL` is read at runtime, so one image works behind the ingress (`/api`) and elsewhere.
**GKE Autopilot + Cloud SQL, not self-managed.** The lab is about the platform patterns (Workload
Identity, GitOps, Kustomize overlays, GPU node selection), not about running etcd.
Identity, GitOps, Kustomize overlays, private networking), not about running etcd. Cloud SQL has only
a private IP; the API reaches it through a Cloud SQL Proxy sidecar, pipeline tasks directly in the VPC.
Database URLs live in Secret Manager.
**GitOps.** CI builds and tests; it never runs `kubectl apply`. It edits image tags in the `gcp` overlay
and ArgoCD reconciles. Rollback is `git revert`.
and ArgoCD reconciles. Rollback is `git revert`. Migrations run in an init container under a Postgres
advisory lock, so replicas starting together migrate once.
**MLflow registry as the model contract.** The API loads `models:/rarelens-pathogenicity/Production`.
Training writes there; serving reads there. Feature engineering lives in one module that both sides import.
**MLflow registry as the model contract.** The API loads whichever version the `production` alias
points at and records that version on every prediction. The registered model is a pyfunc that owns its
feature engineering (`rarelens_ml.features` ships inside it) and returns P(pathogenic), so serving only
sends raw columns and cannot drift from training.
## What is deliberately missing