Add containerised deployment for the Streamlit dashboard

.dockerignore

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+# Keep the build context small. The dashboard needs dashboard.py,
+# datasets_info.py and results/ — everything below belongs to the benchmarking
+# pipeline, which does not run in this image.
+#
+# Without this file the context is ~370 MB; with it, ~47 MB.
+
+.git
+.github
+.devcontainer
+
+# Benchmarking pipeline: Apptainer definitions, demo spectra, evaluation code
+algorithms/
+sample_data/
+evaluation/
+tests/
+evaluation.def
+
+# Pipeline entrypoints and helpers
+run.sh
+run_dataset.sh
+run_split.sh
+run_test.sh
+build_apptainer_images.sh
+augment_predictions.sh
+create_dataset.py
+dataset_utils.py
+dataset_config.py
+update_tags.py
+test_output_format.py
+
+# Deployment files themselves are not needed inside the image
+Dockerfile
+.dockerignore
+docker-compose.deployment.yaml
+deploy.sh
+
+# Local/editor cruft
+__pycache__/
+*.py[cod]
+.venv/
+venv/
+.env
+.env.template
+.DS_Store

Dockerfile

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+# Streamlit dashboard for the de novo benchmarking results.
+#
+# Only the dashboard runs here. The benchmarking pipeline itself needs Apptainer
+# and GPUs and is excluded from the build context via .dockerignore.
+
+FROM python:3.12-slim
+
+WORKDIR /app
+
+# curl is needed by the container healthcheck
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    curl \
+    && rm -rf /var/lib/apt/lists/*
+
+COPY ./requirements-dashboard.txt /app/requirements-dashboard.txt
+
+RUN pip3 install --no-cache-dir -r requirements-dashboard.txt
+
+# Brings in dashboard.py, datasets_info.py and results/
+COPY . /app
+
+EXPOSE 8501
+
+HEALTHCHECK CMD curl --fail http://localhost:8501/_stcore/health
+
+ENTRYPOINT ["streamlit", "run", "dashboard.py", "--server.port=8501", "--server.address=0.0.0.0"]

deploy.sh

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+#!/bin/bash
+
+# Build images
+docker compose -f docker-compose.deployment.yaml build
+
+# Start services
+docker compose -f docker-compose.deployment.yaml up -d

docker-compose.deployment.yaml

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+services:
+  denovo-benchmarks-streamlit-app:
+    build:
+      context: .
+      dockerfile: Dockerfile
+    image: bittremieuxlab/denovo-benchmarks-streamlit-app:latest
+    restart: unless-stopped
+
+    # No host port is published: the reverse proxy reaches the container over
+    # the shared bittremieuxlab-public network.
+    expose:
+      - "8501"
+
+    healthcheck:
+      test: ["CMD", "curl", "--fail", "http://localhost:8501/_stcore/health"]
+      interval: 30s
+      timeout: 5s
+      retries: 3
+
+    environment:
+      STREAMLIT_SERVER_PORT: 8501
+      STREAMLIT_SERVER_ADDRESS: 0.0.0.0
+      STREAMLIT_SERVER_HEADLESS: "true"
+      TZ: Europe/Brussels
+
+    networks:
+      - bittremieuxlab-public
+
+networks:
+  bittremieuxlab-public:
+    external: true

requirements-dashboard.txt

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+# Dependencies for the Streamlit dashboard (dashboard.py) only.
+#
+# The root requirements.txt targets the benchmarking pipeline. On Streamlit
+# Community Cloud, streamlit was installed automatically and pandas came in as
+# one of its dependencies, so neither needed to be listed. A container image
+# gets no such treatment, so both are pinned explicitly here.
+#
+# Versions are pinned so that rebuilds are reproducible: deploy.sh rebuilds the
+# image on every deployment, and an unpinned dependency would let an unrelated
+# deploy silently pull a breaking major version. Bump these deliberately.
+streamlit==1.61.1
+pandas==3.0.5
+plotly==6.5.2