strip direct dependencies

.github/README.md

@@ -33,7 +33,7 @@ bash scripts/install-dgl.sh
 pip install -e .[test]
 pip install -e .[mace]
 # DeePMD
-DP_ENABLE_TENSORFLOW=0 pip install deepmd-kit@git+https://github.com/deepmodeling/deepmd-kit.git@v3.0.0b4
+DP_ENABLE_TENSORFLOW=0 pip install -e .[deepmd]
 ```
 
 ## Contribute

.github/workflows/release.yaml

@@ -109,6 +109,29 @@ jobs:
           echo "Version bumped. Proceeding."
           echo "version_bumped=true" >> $GITHUB_ENV
         fi
+    
+    # Step 5: Remove problematic optional dependencies
+    - name: Strip problematic optional dependencies
+      run: |
+        python - <<EOF
+        import toml
+        from pathlib import Path
+
+        pyproject_path = Path("pyproject.toml")
+        data = toml.loads(pyproject_path.read_text())
+        
+        # Process optional dependencies
+        optional_deps = data.get("project", {}).get("optional-dependencies", {})
+        for key, deps in optional_deps.items():
+            new_deps = []
+            for dep in deps:
+                if "@git" in dep:
+                    dep = dep.split("@git")[0].strip()  # Remove everything after "@git"
+                new_deps.append(dep)
+            optional_deps[key] = new_deps
+            
+        pyproject_path.write_text(toml.dumps(data))
+        EOF
 
     # Step 7: Install Flit (only if version bumped)
     - name: Install Flit

pyproject.toml

@@ -67,6 +67,10 @@ test = [
 mace = [
     "mace-torch==0.3.9",
 ]
+deepmd = [
+    "torch==2.2.0",
+    "deepmd-kit@git+https://github.com/deepmodeling/deepmd-kit.git@v3.0.0b4"
+]
 
 [project.urls]
 Homepage = "https://github.com/atomind-ai/mlip-arena"