Refactor Docker image build workflow

.github/workflows/docker-image.yml

@@ -0,0 +1,37 @@
+name: build & push Docker image to ghcr
+
+on:
+  push:
+    tags:
+      - v*
+
+env:
+  REGISTRY: ghcr.io
+  IMAGE_NAME: ${{ github.repository }}
+
+jobs:
+  docker-build:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v3
+
+      - name: Log in to the Container registry
+        uses: docker/login-action@f054a8b539a109f9f41c372932f1ae047eff08c9
+        with:
+          registry: ${{ env.REGISTRY }}
+          username: ${{ github.actor }}
+          password: ${{ secrets.GITHUB_TOKEN }}
+
+      - name: Extract metadata (tags, labels) for Docker
+        id: meta
+        uses: docker/metadata-action@98669ae865ea3cffbcbaa878cf57c20bbf1c6c38
+        with:
+          images: ${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}
+
+      - name: Build and push Docker image
+        uses: docker/build-push-action@ad44023a93711e3deb337508980b4b5e9bcdc5dc
+        with:
+          context: .
+          push: true
+          tags: ${{ steps.meta.outputs.tags }}
+          labels: ${{ steps.meta.outputs.labels }}

Dockerfile

@@ -0,0 +1,28 @@
+# Use the smallest official Python image
+FROM python:3.9-slim
+
+# Set environment variables to avoid interactive prompts
+ENV DEBIAN_FRONTEND=noninteractive
+
+# Set the working directory inside the container
+WORKDIR /app
+
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    swig \
+    build-essential \
+    git \
+    && rm -rf /var/lib/apt/lists/*
+
+
+# Copy only the package files (without installing dependencies)
+COPY . .
+
+# Install Python dependencies
+RUN pip install --no-cache-dir hatchling setuptools wheel && \
+    pip install .
+
+# Optional: Support GPU version (comment out if not needed)
+ARG GPU_SUPPORT=false
+RUN if [ "$GPU_SUPPORT" = "true" ]; then pip install cupy; fi
+
+CMD ["python", "-c", "from vbi.utils import test_imports; test_imports()"]

vbi/utils.py

@@ -302,3 +302,68 @@ def set_diag(A: np.ndarray, k: int = 0, value: float = 0.0):
         idx = np.where(a1)
         A[idx] = value
     return A
+
+
+def test_imports():
+    """ 
+    Import some of required dependencies and print their versions if available 
+    and warn if not available.
+    
+    The required dependencies are:
+    - vbi
+    - numpy
+    - scipy
+    - matplotlib
+    - sbi
+    - torch [also check if GPU is available]
+    - cupy [also check if GPU is available]
+    
+    """
+
+    try:
+        import vbi
+        print(f"vbi: {vbi.__version__}")
+    except ImportError:
+        print("vbi not found")
+
+    try:
+        import numpy
+        print(f"numpy: {numpy.__version__}")
+    except ImportError:
+        print("numpy not found")
+
+    try:
+        import scipy
+        print(f"scipy: {scipy.__version__}")
+    except ImportError:
+        print("scipy not found")
+
+    try:
+        import matplotlib
+        print(f"matplotlib: {matplotlib.__version__}")
+    except ImportError:
+        print("matplotlib not found")
+
+    try:
+        import sbi
+        print(f"sbi: {sbi.__version__}")
+    except ImportError:
+        print("sbi not found")
+
+    try:
+        import torch
+        print(f"torch: {torch.__version__}")
+        print(f"GPU available: {torch.cuda.is_available()}")
+    except ImportError:
+        print("torch not found")
+
+    try:
+        import cupy
+        print(f"cupy: {cupy.__version__}")
+        print(f"GPU available: {cupy.cuda.is_available()}")
+    except ImportError:
+        print("cupy not found")
+
+
+
+