update

.devcontainer/features/molpot/devcontainer-feature.json

@@ -17,11 +17,6 @@
     }
   },
   "options": {
-    "molpotEnableCuda": {
-      "type": "boolean",
-      "default": true,
-      "description": "Enable CUDA support"
-    },
     "pytorchCudaVersion": {
       "type": "string",
       "default": "cu125",

.devcontainer/features/molpot/install.sh

@@ -5,7 +5,7 @@ echo "Activating feature 'pytorch'"
 
 which pip > /dev/null || (apt update && apt install python3-pip -y -qq)
 
-if [ "${MOLPOTENABLECUDA}" = "true" ]; then
+if [ -z "${MOLPOTENABLECUDA}"]; then
     echo "Installing pytorch with CUDA support"
     pip install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/${PYTORCHCUDAVERSION}
     echo "Pytorch with CUDA support installed!"

.github/workflows/build_dev_image.yaml

@@ -0,0 +1,44 @@
+name: build_dev_image
+on:
+  push:
+    branches:
+      - dev
+
+jobs:
+  # build-cpu:
+  #   runs-on: ubuntu-latest
+  #   steps:
+  #     - name: Checkout (GitHub)
+  #       uses: actions/checkout@v4
+
+  #     - name: Login to GitHub Container Registry
+  #       uses: docker/login-action@v3
+  #       with:
+  #         username: ${{ vars.DOCKERHUB_USERNAME }}
+  #         password: ${{ secrets.DOCKERHUB_TOKEN }}
+
+  #     - name: Build and run Dev Container task
+  #       uses: devcontainers/[email protected]
+  #       with:
+  #         configFile: ./devcontainer/cpu/devcontainer.json
+  #         imageName: roykid/molcrafts_dev:latest
+
+  build-gpu:
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout (GitHub)
+        uses: actions/checkout@v4
+
+      - name: Login to GitHub Container Registry
+        uses: docker/login-action@v3
+        with:
+          registry: ghcr.io
+          username: ${{ github.actor }}
+          password: ${{ secrets.GITHUB_TOKEN }}
+
+      - name: Build and run Dev Container task
+        uses: devcontainers/[email protected]
+        with:
+          configFile: ./.devcontainer/gpu/devcontainer.json
+          imageName: ghcr.io/molcrafts/molcrafts-dev
+          imageTag: latest-gpu