aiagents4pharma 1.48.0__tar.gz → 1.48.1__tar.gz

aiagents4pharma-1.48.1/.github/workflows/docker_build.yml

@@ -0,0 +1,311 @@
+name: Docker Build and Push
+on:
+  # Trigger after RELEASE workflow completes
+  workflow_run:
+    workflows: ["RELEASE"]
+    types:
+      - completed
+    branches:
+      - main
+  # Keep existing triggers for flexibility
+  workflow_dispatch:
+
+jobs:
+  # Detect which modules have changed
+  changes:
+    runs-on: ubuntu-latest
+    outputs:
+      talk2biomodels: ${{ steps.set-module-outputs.outputs.talk2biomodels }}
+      talk2scholars: ${{ steps.set-module-outputs.outputs.talk2scholars }}
+      talk2aiagents4pharma: ${{ steps.set-module-outputs.outputs.talk2aiagents4pharma }}
+      talk2knowledgegraphs: ${{ steps.set-module-outputs.outputs.talk2knowledgegraphs }}
+      app: ${{ steps.set-module-outputs.outputs.app }}
+
+    steps:
+      - name: Checkout Repository
+        uses: actions/checkout@v5
+        with:
+          fetch-depth: 0
+          repository: ${{ github.event.workflow_run.head_repository.full_name || github.repository }}
+          ref: ${{ github.event.workflow_run.head_branch || github.ref }}
+
+      - name: Set module outputs
+        id: set-module-outputs
+        env:
+          EVENT_NAME: ${{ github.event_name }}
+          HEAD_SHA: ${{ github.event.workflow_run.head_sha || github.sha }}
+        run: |
+          set -euo pipefail
+
+          if [ "$EVENT_NAME" != "workflow_run" ]; then
+            echo "talk2aiagents4pharma=true" >> "$GITHUB_OUTPUT"
+            echo "talk2knowledgegraphs=true" >> "$GITHUB_OUTPUT"
+            echo "talk2biomodels=true" >> "$GITHUB_OUTPUT"
+            echo "talk2scholars=true" >> "$GITHUB_OUTPUT"
+            echo "app=true" >> "$GITHUB_OUTPUT"
+            echo "Non-release trigger detected; forcing rebuild of all components"
+            exit 0
+          fi
+
+          git checkout "$HEAD_SHA"
+
+          if git rev-list --max-count=2 "$HEAD_SHA" >/dev/null 2>&1; then
+            BASE_SHA=$(git rev-parse "$HEAD_SHA^")
+            echo "Comparing changes between $BASE_SHA and $HEAD_SHA"
+            CHANGED_FILES=$(git diff --name-only "$BASE_SHA" "$HEAD_SHA")
+          else
+            echo "No previous commit found; treating all files as changed"
+            CHANGED_FILES=$(git ls-tree -r "$HEAD_SHA" --name-only)
+          fi
+
+          if [ -z "$CHANGED_FILES" ]; then
+            echo "talk2aiagents4pharma=false" >> "$GITHUB_OUTPUT"
+            echo "talk2knowledgegraphs=false" >> "$GITHUB_OUTPUT"
+            echo "talk2biomodels=false" >> "$GITHUB_OUTPUT"
+            echo "talk2scholars=false" >> "$GITHUB_OUTPUT"
+            echo "app=false" >> "$GITHUB_OUTPUT"
+            echo "No changes detected since previous commit."
+            exit 0
+          fi
+
+          # Helper to check if any changed file matches patterns
+          has_match() {
+            local pattern="$1"
+            echo "$CHANGED_FILES" | grep -E "^${pattern}" >/dev/null 2>&1
+          }
+
+          T2AA4P=false
+          T2KG=false
+          T2B=false
+          T2S=false
+          APP=false
+
+          if has_match "aiagents4pharma/talk2aiagents4pharma/"; then
+            T2AA4P=true
+          fi
+          if has_match "aiagents4pharma/talk2knowledgegraphs/"; then
+            T2KG=true
+            T2AA4P=true
+          fi
+          if has_match "aiagents4pharma/talk2biomodels/"; then
+            T2B=true
+            T2AA4P=true
+          fi
+          if has_match "aiagents4pharma/talk2scholars/"; then
+            T2S=true
+          fi
+          if has_match "app/"; then
+            APP=true
+            T2AA4P=true
+            T2KG=true
+            T2B=true
+            T2S=true
+          fi
+          if echo "$CHANGED_FILES" | grep -E "^pyproject\.toml$" >/dev/null 2>&1; then
+            APP=true
+            T2AA4P=true
+            T2KG=true
+            T2B=true
+            T2S=true
+          fi
+          if echo "$CHANGED_FILES" | grep -E "^uv\.lock$" >/dev/null 2>&1; then
+            APP=true
+            T2AA4P=true
+            T2KG=true
+            T2B=true
+            T2S=true
+          fi
+
+          echo "talk2aiagents4pharma=$T2AA4P" >> "$GITHUB_OUTPUT"
+          echo "talk2knowledgegraphs=$T2KG" >> "$GITHUB_OUTPUT"
+          echo "talk2biomodels=$T2B" >> "$GITHUB_OUTPUT"
+          echo "talk2scholars=$T2S" >> "$GITHUB_OUTPUT"
+          echo "app=$APP" >> "$GITHUB_OUTPUT"
+  # Generate version for the build
+  version:
+    runs-on: ubuntu-latest
+    outputs:
+      version: ${{ steps.get_version.outputs.version }}
+    steps:
+      - name: Checkout Repository
+        uses: actions/checkout@v5
+        with:
+          fetch-depth: 0
+
+      # Get the latest version from git tags
+
+      - name: Get latest version tag
+        id: get_version
+        run: |
+          # Get the latest tag from git
+          LATEST_TAG=$(git describe --tags --abbrev=0 2>/dev/null || echo "v0.1.0")
+
+          # Always use the latest tag directly (no dev builds)
+          VERSION=$LATEST_TAG
+
+          echo "Using version: $VERSION"
+          echo "version=$VERSION" >> $GITHUB_OUTPUT
+
+  # Separate job for talk2aiagents4pharma
+  build-talk2aiagents4pharma:
+    needs: [changes, version]
+    if: ${{ needs.changes.outputs.talk2aiagents4pharma == 'true' || needs.changes.outputs.talk2biomodels == 'true' || needs.changes.outputs.talk2knowledgegraphs == 'true' || needs.changes.outputs.app == 'true' }}
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout Repository
+        uses: actions/checkout@v5
+
+      - name: Free up disk space
+        run: |
+          sudo rm -rf /usr/share/dotnet /usr/local/lib/android /opt/ghc /opt/hostedtoolcache || true
+          sudo apt-get clean || true
+          sudo apt-get autoremove -y || true
+          sudo docker system prune -af || true
+          sudo docker builder prune -af || true
+
+      - name: Login to Docker Hub
+        uses: docker/login-action@v3
+        with:
+          username: ${{ vars.DOCKERHUB_USERNAME }}
+          password: ${{ secrets.DOCKERHUB_TOKEN }}
+
+      - name: Build and Push GPU Image
+        uses: docker/build-push-action@v6
+        with:
+          file: aiagents4pharma/talk2aiagents4pharma/Dockerfile
+          push: true
+          tags: |
+            vpatientengine/talk2aiagents4pharma:${{ needs.version.outputs.version }}
+            vpatientengine/talk2aiagents4pharma:latest
+            vpatientengine/talk2aiagents4pharma:${{ needs.version.outputs.version }}-gpu
+            vpatientengine/talk2aiagents4pharma:latest-gpu
+          platforms: linux/amd64
+          build-args: |
+            INSTALL_CUDA=true
+
+      - name: Build and Push CPU Image
+        uses: docker/build-push-action@v6
+        with:
+          file: aiagents4pharma/talk2aiagents4pharma/Dockerfile
+          push: true
+          tags: |
+            vpatientengine/talk2aiagents4pharma:${{ needs.version.outputs.version }}-cpu
+            vpatientengine/talk2aiagents4pharma:latest-cpu
+          platforms: linux/amd64
+          build-args: |
+            INSTALL_CUDA=false
+
+  # Separate job for talk2biomodels
+  build-talk2biomodels:
+    needs: [changes, version]
+    if: ${{ needs.changes.outputs.talk2biomodels == 'true' || needs.changes.outputs.app == 'true' }}
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout Repository
+        uses: actions/checkout@v5
+
+      - name: Free up disk space
+        run: |
+          sudo rm -rf /usr/share/dotnet /usr/local/lib/android /opt/ghc /opt/hostedtoolcache || true
+          sudo apt-get clean || true
+          sudo apt-get autoremove -y || true
+          sudo docker system prune -af || true
+          sudo docker builder prune -af || true
+
+      - name: Login to Docker Hub
+        uses: docker/login-action@v3
+        with:
+          username: ${{ vars.DOCKERHUB_USERNAME }}
+          password: ${{ secrets.DOCKERHUB_TOKEN }}
+
+      - name: Build and Push Docker Image
+        uses: docker/build-push-action@v6
+        with:
+          file: aiagents4pharma/talk2biomodels/Dockerfile
+          push: true
+          tags: |
+            vpatientengine/talk2biomodels:${{ needs.version.outputs.version }}
+            vpatientengine/talk2biomodels:latest
+          platforms: linux/amd64
+
+  # Separate job for talk2scholars
+  build-talk2scholars:
+    needs: [changes, version]
+    if: ${{ needs.changes.outputs.talk2scholars == 'true' || needs.changes.outputs.app == 'true' }}
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout Repository
+        uses: actions/checkout@v5
+
+      - name: Free up disk space
+        run: |
+          sudo rm -rf /usr/share/dotnet /usr/local/lib/android /opt/ghc /opt/hostedtoolcache || true
+          sudo apt-get clean || true
+          sudo apt-get autoremove -y || true
+          sudo docker system prune -af || true
+          sudo docker builder prune -af || true
+
+      - name: Login to Docker Hub
+        uses: docker/login-action@v3
+        with:
+          username: ${{ vars.DOCKERHUB_USERNAME }}
+          password: ${{ secrets.DOCKERHUB_TOKEN }}
+
+      - name: Build and Push Docker Image
+        uses: docker/build-push-action@v6
+        with:
+          file: aiagents4pharma/talk2scholars/Dockerfile
+          push: true
+          tags: |
+            vpatientengine/talk2scholars:${{ needs.version.outputs.version }}
+            vpatientengine/talk2scholars:latest
+          platforms: linux/amd64
+
+  # Separate job for talk2knowledgegraphs
+  build-talk2knowledgegraphs:
+    needs: [changes, version]
+    if: ${{ needs.changes.outputs.talk2knowledgegraphs == 'true' || needs.changes.outputs.app == 'true' }}
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout Repository
+        uses: actions/checkout@v5
+
+      - name: Free up disk space
+        run: |
+          sudo rm -rf /usr/share/dotnet /usr/local/lib/android /opt/ghc /opt/hostedtoolcache || true
+          sudo apt-get clean || true
+          sudo apt-get autoremove -y || true
+          sudo docker system prune -af || true
+          sudo docker builder prune -af || true
+
+      - name: Login to Docker Hub
+        uses: docker/login-action@v3
+        with:
+          username: ${{ vars.DOCKERHUB_USERNAME }}
+          password: ${{ secrets.DOCKERHUB_TOKEN }}
+
+      - name: Build and Push GPU Image
+        uses: docker/build-push-action@v6
+        with:
+          file: aiagents4pharma/talk2knowledgegraphs/Dockerfile
+          push: true
+          tags: |
+            vpatientengine/talk2knowledgegraphs:${{ needs.version.outputs.version }}
+            vpatientengine/talk2knowledgegraphs:latest
+            vpatientengine/talk2knowledgegraphs:${{ needs.version.outputs.version }}-gpu
+            vpatientengine/talk2knowledgegraphs:latest-gpu
+          platforms: linux/amd64
+          build-args: |
+            INSTALL_CUDA=true
+
+      - name: Build and Push CPU Image
+        uses: docker/build-push-action@v6
+        with:
+          file: aiagents4pharma/talk2knowledgegraphs/Dockerfile
+          push: true
+          tags: |
+            vpatientengine/talk2knowledgegraphs:${{ needs.version.outputs.version }}-cpu
+            vpatientengine/talk2knowledgegraphs:latest-cpu
+          platforms: linux/amd64
+          build-args: |
+            INSTALL_CUDA=false

{aiagents4pharma-1.48.0 → aiagents4pharma-1.48.1}/.github/workflows/docker_compose_release.yml

@@ -41,13 +41,46 @@ jobs:
         uses: actions/checkout@v5
         with:
           fetch-depth: 0
+          repository: ${{ github.event.workflow_run.head_repository.full_name || github.repository }}
+          ref: ${{ github.event.workflow_run.head_branch || github.ref }}
 
-      - name: Check for compose changes (simplified for workflow_run)
+      - name: Check for compose changes
         id: changes
+        env:
+          EVENT_NAME: ${{ github.event_name }}
+          HEAD_SHA: ${{ github.event.workflow_run.head_sha || github.sha }}
         run: |
-          # For workflow_run, assume compose files may need updating after app changes
-          echo "compose_changed=true" >> $GITHUB_OUTPUT
-          echo "Compose files will be released after app changes"
+          set -euo pipefail
+
+          # Determine target commit
+          if [ -z "${HEAD_SHA}" ]; then
+            echo "HEAD_SHA not provided. Failing build detection." >&2
+            exit 1
+          fi
+
+          git checkout "${HEAD_SHA}"
+
+          # Identify base commit (previous commit if available)
+          if git rev-list --max-count=2 "${HEAD_SHA}" >/dev/null 2>&1; then
+            BASE_SHA=$(git rev-parse "${HEAD_SHA}^")
+            echo "Comparing compose changes between ${BASE_SHA} and ${HEAD_SHA}"
+            CHANGED_FILES=$(git diff --name-only "${BASE_SHA}" "${HEAD_SHA}")
+          else
+            echo "No parent commit found; treating repository snapshot as initial state."
+            CHANGED_FILES=$(git ls-tree -r "${HEAD_SHA}" --name-only)
+          fi
+
+          echo "${CHANGED_FILES}" > /tmp/changed_files.txt
+
+          # Match against compose-related paths
+          if echo "${CHANGED_FILES}" | grep -E '^(aiagents4pharma/[^/]+/docker-compose/|aiagents4pharma/[^/]+/docker-compose\.ya?ml$)' >/dev/null 2>&1; then
+            echo "compose_changed=true" >> "$GITHUB_OUTPUT"
+            echo "Compose-related changes detected:"
+            cat /tmp/changed_files.txt | grep -E '^(aiagents4pharma/[^/]+/docker-compose/|aiagents4pharma/[^/]+/docker-compose\.ya?ml$)'
+          else
+            echo "compose_changed=false" >> "$GITHUB_OUTPUT"
+            echo "No compose-related changes found."
+          fi
 
       - name: Get version info
         id: version
@@ -279,11 +312,11 @@ jobs:
           NVIDIA_API_KEY=your_nvidia_api_key_here
 
           # Set environment variables for data loader
-          MILVUS_HOST=localhost
+          MILVUS_HOST=milvus-standalone
           MILVUS_PORT=19530
           MILVUS_USER=root
           MILVUS_PASSWORD=Milvus
-          MILVUS_DATABASE=your_database_name_here
+          MILVUS_DATABASE=t2kg_primekg
 
           # Specify the data directory for multimodal data to your own data directory
           # DATA_DIR=/your_absolute_path_to_your_data_dir/

{aiagents4pharma-1.48.0 → aiagents4pharma-1.48.1}/.github/workflows/release.yml

@@ -6,6 +6,7 @@ on:
     branches: [main]
     paths:
       - "aiagents4pharma/**"
+      - "app/**"
       - "pyproject.toml"
       - "uv.lock"
   workflow_dispatch:

{aiagents4pharma-1.48.0 → aiagents4pharma-1.48.1}/.github/workflows/sonarcloud.yml

@@ -24,7 +24,8 @@ jobs:
         uses: actions/checkout@v5
         with:
           fetch-depth: 0 # Shallow clones should be disabled for better analysis
-          ref: ${{ github.event.workflow_run.head_branch }}
+          repository: ${{ github.event.workflow_run.head_repository.full_name || github.repository }}
+          ref: ${{ github.event.workflow_run.head_sha || github.event.workflow_run.head_branch || github.ref }}
 
       - name: Download test artifacts
         uses: actions/download-artifact@v5
@@ -34,8 +35,29 @@ jobs:
           pattern: "*-reports-*"
           path: ./reports/
           merge-multiple: true
+          if-no-artifact-found: warn
+
+      - name: Check for coverage reports
+        id: reports
+        run: |
+          set -euo pipefail
+          FOUND=false
+          if [ -d "./reports" ]; then
+            if find ./reports -type f \( -name "*.xml" -o -name "*.json" -o -name "*.lcov" \) | grep -q .; then
+              FOUND=true
+            fi
+          fi
+
+          if [ "$FOUND" = "true" ]; then
+            echo "found=true" >> "$GITHUB_OUTPUT"
+            echo "Coverage reports detected."
+          else
+            echo "found=false" >> "$GITHUB_OUTPUT"
+            echo "No coverage reports found; SonarCloud scan will be skipped."
+          fi
 
       - name: Move reports to root for SonarCloud
+        if: steps.reports.outputs.found == 'true'
         run: |
           if [ -d ./reports ]; then
             cp ./reports/*.xml . 2>/dev/null || true
@@ -44,6 +66,7 @@ jobs:
 
       - name: SonarCloud Scan
         uses: SonarSource/sonarqube-scan-action@v5.3.1
+        if: steps.reports.outputs.found == 'true' || github.event_name == 'workflow_dispatch'
         env:
           GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
           SONAR_TOKEN: ${{ secrets.SONAR_TOKEN }}

{aiagents4pharma-1.48.0 → aiagents4pharma-1.48.1}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: aiagents4pharma
-Version: 1.48.0
+Version: 1.48.1
 Summary: AI Agents for drug discovery, drug development, and other pharmaceutical R&D.
 License-File: LICENSE
 Classifier: License :: OSI Approved :: MIT License

{aiagents4pharma-1.48.0 → aiagents4pharma-1.48.1}/aiagents4pharma/talk2aiagents4pharma/Dockerfile

@@ -33,6 +33,7 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-ins
   && update-alternatives --install /usr/bin/python python /usr/bin/python${PYTHON_VERSION} 1
 
 FROM python-install AS uv-install
+ARG INSTALL_CUDA=true
 WORKDIR /app
 
 # Install UV package manager and dependencies
@@ -42,14 +43,19 @@ RUN curl -LsSf https://astral.sh/uv/install.sh | sh && \
   export UV_PROJECT_ENVIRONMENT="/opt/venv" && \
   uv sync --frozen --extra dev --no-install-project --python python${PYTHON_VERSION} && \
   . /opt/venv/bin/activate && \
+  if [ "$INSTALL_CUDA" = "true" ]; then \
   uv pip install \
   --extra-index-url=https://pypi.nvidia.com \
   --index-strategy unsafe-best-match \
-  cudf-cu12 dask-cudf-cu12 && \
+  cudf-cu12 dask-cudf-cu12; \
+  else \
+  echo "Skipping RAPIDS packages for CPU build"; \
+  fi && \
   uv cache clean
 
 FROM ${BASE_IMAGE} AS runtime
 ARG PYTHON_VERSION=3.12
+ARG INSTALL_CUDA=true
 LABEL maintainer="talk2aiagents4pharma"
 LABEL version="1.0.0"
 LABEL description="AI Agents for Pharma - Streamlit Application"
@@ -67,20 +73,24 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-ins
   && update-alternatives --install /usr/bin/python3 python3 /usr/bin/python${PYTHON_VERSION} 1 \
   && update-alternatives --install /usr/bin/python python /usr/bin/python${PYTHON_VERSION} 1
 
-# Install CUDA runtime libraries required by cudf/cupy
-RUN curl -fsSL https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/3bf863cc.pub \
-    | gpg --dearmor -o /usr/share/keyrings/nvidia-cuda-keyring.gpg \
-  && echo "deb [signed-by=/usr/share/keyrings/nvidia-cuda-keyring.gpg] https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/ /" \
-    > /etc/apt/sources.list.d/nvidia-cuda.list \
-  && apt-get update \
-  && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
-    cuda-cudart-12-6 \
-    cuda-cudart-dev-12-6 \
-    cuda-nvrtc-12-6 \
-    cuda-nvrtc-dev-12-6 \
-    libcublas-12-6 \
-    libcusparse-12-6 \
-  && rm -rf /var/lib/apt/lists/*
+# Install CUDA runtime libraries required by cudf/cupy (optional)
+RUN if [ "$INSTALL_CUDA" = "true" ]; then \
+  curl -fsSL https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/3bf863cc.pub \
+  | gpg --dearmor -o /usr/share/keyrings/nvidia-cuda-keyring.gpg && \
+  echo "deb [signed-by=/usr/share/keyrings/nvidia-cuda-keyring.gpg] https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/ /" \
+  > /etc/apt/sources.list.d/nvidia-cuda.list && \
+  apt-get update && \
+  DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
+  cuda-cudart-12-6 \
+  cuda-cudart-dev-12-6 \
+  cuda-nvrtc-12-6 \
+  cuda-nvrtc-dev-12-6 \
+  libcublas-12-6 \
+  libcusparse-12-6 \
+  && rm -rf /var/lib/apt/lists/*; \
+  else \
+  echo "Skipping CUDA installation"; \
+  fi
 
 ENV LD_LIBRARY_PATH=/usr/local/cuda/lib64
 

{aiagents4pharma-1.48.0/aiagents4pharma/talk2knowledgegraphs → aiagents4pharma-1.48.1/aiagents4pharma/talk2aiagents4pharma}/docker-compose/cpu/.env.example

@@ -11,7 +11,7 @@ LANGCHAIN_API_KEY=your_langchain_api_key_here
 NVIDIA_API_KEY=your_nvidia_api_key_here
 
 # Set environment variables for data loader
-MILVUS_HOST=localhost
+MILVUS_HOST=milvus-standalone
 MILVUS_PORT=19530
 MILVUS_USER=root
 MILVUS_PASSWORD=Milvus

{aiagents4pharma-1.48.0 → aiagents4pharma-1.48.1}/aiagents4pharma/talk2aiagents4pharma/docker-compose/cpu/docker-compose.yml

@@ -4,7 +4,7 @@ services:
   # talk2aiagents4pharma with automatic data loading via entrypoint
   talk2aiagents4pharma:
     container_name: talk2aiagents4pharma
-    image: vpatientengine/talk2aiagents4pharma:latest
+    image: vpatientengine/talk2aiagents4pharma:latest-cpu
     platform: linux/amd64
     ports:
       - "8501:8501"

{aiagents4pharma-1.48.0/aiagents4pharma/talk2aiagents4pharma/docker-compose/cpu → aiagents4pharma-1.48.1/aiagents4pharma/talk2aiagents4pharma/docker-compose/gpu}/.env.example

@@ -11,7 +11,7 @@ LANGCHAIN_API_KEY=your_langchain_api_key_here
 NVIDIA_API_KEY=your_nvidia_api_key_here
 
 # Set environment variables for data loader
-MILVUS_HOST=localhost
+MILVUS_HOST=milvus-standalone
 MILVUS_PORT=19530
 MILVUS_USER=root
 MILVUS_PASSWORD=Milvus

{aiagents4pharma-1.48.0 → aiagents4pharma-1.48.1}/aiagents4pharma/talk2aiagents4pharma/docker-compose/gpu/docker-compose.yml

@@ -4,7 +4,7 @@ services:
   # talk2aiagents4pharma with automatic data loading via entrypoint
   talk2aiagents4pharma:
     container_name: talk2aiagents4pharma
-    image: vpatientengine/talk2aiagents4pharma:latest
+    image: vpatientengine/talk2aiagents4pharma:latest-gpu
     platform: linux/amd64
     ports:
       - "8501:8501"

{aiagents4pharma-1.48.0 → aiagents4pharma-1.48.1}/aiagents4pharma/talk2aiagents4pharma/install.md

@@ -53,7 +53,7 @@ LANGCHAIN_API_KEY=your_langchain_api_key_here
 NVIDIA_API_KEY=your_nvidia_api_key_here
 
 # Set environment variables for data loader
-MILVUS_HOST=localhost
+MILVUS_HOST=milvus-standalone
 MILVUS_PORT=19530
 MILVUS_USER=root
 MILVUS_PASSWORD=Milvus
@@ -121,3 +121,34 @@ To resolve permission issues, you can:
 
 - Review the official Docker documentation on [Windows permission requirements](https://docs.docker.com/desktop/setup/install/windows-permission-requirements/).
 - Alternatively, follow the community discussion and solutions on [Docker Community Forums](https://forums.docker.com/t/error-when-trying-to-run-windows-containers-docker-client-must-be-run-with-elevated-privileges/136619).
+
+---
+
+### Build Images Locally
+
+If you prefer to build the images yourself:
+
+```sh
+git clone https://github.com/VirtualPatientEngine/AIAgents4Pharma.git
+cd AIAgents4Pharma
+```
+
+**GPU build** (overwrites the `latest-gpu` tag locally)
+
+```sh
+docker build --platform=linux/amd64 \
+  -t vpatientengine/talk2aiagents4pharma:latest-gpu \
+  -f aiagents4pharma/talk2aiagents4pharma/Dockerfile \
+  --build-arg INSTALL_CUDA=true \
+  .
+```
+
+**CPU build** (overwrites the `latest-cpu` tag locally)
+
+```sh
+docker build --platform=linux/amd64 \
+  -t vpatientengine/talk2aiagents4pharma:latest-cpu \
+  -f aiagents4pharma/talk2aiagents4pharma/Dockerfile \
+  --build-arg INSTALL_CUDA=false \
+  .
+```

{aiagents4pharma-1.48.0 → aiagents4pharma-1.48.1}/aiagents4pharma/talk2knowledgegraphs/Dockerfile

@@ -33,6 +33,7 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-ins
   && update-alternatives --install /usr/bin/python python /usr/bin/python${PYTHON_VERSION} 1
 
 FROM python-install AS uv-install
+ARG INSTALL_CUDA=true
 WORKDIR /app
 
 # Install UV package manager and dependencies
@@ -42,14 +43,19 @@ RUN curl -LsSf https://astral.sh/uv/install.sh | sh && \
   export UV_PROJECT_ENVIRONMENT="/opt/venv" && \
   uv sync --frozen --extra dev --no-install-project --python python${PYTHON_VERSION} && \
   . /opt/venv/bin/activate && \
-  uv pip install \
-  --extra-index-url=https://pypi.nvidia.com \
-  --index-strategy unsafe-best-match \
-  cudf-cu12 dask-cudf-cu12 && \
+  if [ "$INSTALL_CUDA" = "true" ]; then \
+    uv pip install \
+      --extra-index-url=https://pypi.nvidia.com \
+      --index-strategy unsafe-best-match \
+      cudf-cu12 dask-cudf-cu12; \
+  else \
+    echo "Skipping RAPIDS packages for CPU build"; \
+  fi && \
   uv cache clean
 
 FROM ${BASE_IMAGE} AS runtime
 ARG PYTHON_VERSION=3.12
+ARG INSTALL_CUDA=true
 LABEL maintainer="talk2knowledgegraphs"
 LABEL version="1.0.0"
 LABEL description="AI Agents for Pharma - Knowledge Graphs Application"
@@ -67,20 +73,24 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-ins
   && update-alternatives --install /usr/bin/python3 python3 /usr/bin/python${PYTHON_VERSION} 1 \
   && update-alternatives --install /usr/bin/python python /usr/bin/python${PYTHON_VERSION} 1
 
-# Install CUDA runtime libraries required by cudf/cupy
-RUN curl -fsSL https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/3bf863cc.pub \
-  | gpg --dearmor -o /usr/share/keyrings/nvidia-cuda-keyring.gpg \
-  && echo "deb [signed-by=/usr/share/keyrings/nvidia-cuda-keyring.gpg] https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/ /" \
-  > /etc/apt/sources.list.d/nvidia-cuda.list \
-  && apt-get update \
-  && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
-  cuda-cudart-12-6 \
-  cuda-cudart-dev-12-6 \
-  cuda-nvrtc-12-6 \
-  cuda-nvrtc-dev-12-6 \
-  libcublas-12-6 \
-  libcusparse-12-6 \
-  && rm -rf /var/lib/apt/lists/*
+# Install CUDA runtime libraries required by cudf/cupy (optional)
+RUN if [ "$INSTALL_CUDA" = "true" ]; then \
+    curl -fsSL https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/3bf863cc.pub \
+      | gpg --dearmor -o /usr/share/keyrings/nvidia-cuda-keyring.gpg && \
+    echo "deb [signed-by=/usr/share/keyrings/nvidia-cuda-keyring.gpg] https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2404/x86_64/ /" \
+      > /etc/apt/sources.list.d/nvidia-cuda.list && \
+    apt-get update && \
+    DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
+      cuda-cudart-12-6 \
+      cuda-cudart-dev-12-6 \
+      cuda-nvrtc-12-6 \
+      cuda-nvrtc-dev-12-6 \
+      libcublas-12-6 \
+      libcusparse-12-6 \
+    && rm -rf /var/lib/apt/lists/*; \
+  else \
+    echo "Skipping CUDA installation"; \
+  fi
 
 ENV LD_LIBRARY_PATH=/usr/local/cuda/lib64