fixed errors 6

Author: ranimandepudi

.github/workflows/test-tinker.yml

@@ -157,29 +157,54 @@ jobs:
           # 1. Clean first
           make clean
           
-          echo "Compiling ALL source files manually to ensure complete library..."
-          # We need to compile everything EXCEPT the main program files (like analyze.f, minimize.f, etc.)
-          # However, identifying main programs is hard. 
-          # STRATEGY: Compile everything to .o. 
-          # libtinker.a should contain everything. 
-          # The linker will only pull what it needs, or we might get unused symbol warnings, which is fine.
-          # If we include 'analyze.o' (with a main program) in libtinker.a, it *might* cause issues if linked twice,
-          # but usually the linker prefers the explicit object file over the library one.
-          
-          # BUT: To be safe, we can try to exclude known program files if possible, or just compile everything and let the linker sort it out.
-          # Let's compile everything with the correct flags.
+          echo "Compiling Core Modules first to satisfy dependencies..."
+          FLG="-c -O3 -fopenmp"
+          # Compile lowest-level modules first (sizes, parameters, etc.)
+          gfortran $FLG sizes.f || echo "Failed to compile sizes.f"
+          gfortran $FLG inform.f || echo "Failed to compile inform.f"
+          gfortran $FLG iounit.f || echo "Failed to compile iounit.f"
+          gfortran $FLG keys.f || echo "Failed to compile keys.f"
+          gfortran $FLG math.f || echo "Failed to compile math.f"
+          gfortran $FLG units.f || echo "Failed to compile units.f"
+          gfortran $FLG openmp.f || echo "Failed to compile openmp.f"
+          gfortran $FLG params.f || echo "Failed to compile params.f"
+          gfortran $FLG arg.f || echo "Failed to compile arg.f"
+          gfortran $FLG atoms.f || echo "Failed to compile atoms.f"
+          gfortran $FLG atomid.f || echo "Failed to compile atomid.f"
+          gfortran $FLG angular.f || echo "Failed to compile angular.f"
+          gfortran $FLG angles.f || echo "Failed to compile angles.f"
+          gfortran $FLG angbnd.f || echo "Failed to compile angbnd.f"
+          gfortran $FLG angpot.f || echo "Failed to compile angpot.f"
+          gfortran $FLG bndpot.f || echo "Failed to compile bndpot.f"
+          gfortran $FLG bnds.f || echo "Failed to compile bnds.f"
+          gfortran $FLG bonds.f || echo "Failed to compile bonds.f"
+          gfortran $FLG boxes.f || echo "Failed to compile boxes.f"
+          gfortran $FLG bound.f || echo "Failed to compile bound.f"
+          gfortran $FLG cell.f || echo "Failed to compile cell.f"
+          gfortran $FLG couple.f || echo "Failed to compile couple.f"
+          gfortran $FLG files.f || echo "Failed to compile files.f"
+          gfortran $FLG limits.f || echo "Failed to compile limits.f"
+          gfortran $FLG potent.f || echo "Failed to compile potent.f"
+          gfortran $FLG ptable.f || echo "Failed to compile ptable.f"
+          gfortran $FLG usage.f || echo "Failed to compile usage.f"
+          gfortran $FLG virial.f || echo "Failed to compile virial.f"
+          
+          echo "Compiling remaining source files..."
           for FILE in *.f; do
-            # Check if it's a program file (contains 'program main' or similar) - actually Tinker programs start with 'program <name>'
+            # Skip if already compiled (check for .o existence)
+            NAME=${FILE%.*}
+            if [ -f "${NAME}.o" ]; then
+                continue
+            fi
+            
+            # Check if it's a program file
             if grep -qi "^[[:space:]]*program" "$FILE"; then
                echo "Skipping program file: $FILE"
                continue
             fi
             
-            # Compile with correct flags compatible with the rest of the build
-            # NO -fdefault-integer-8 (incompatible with defaults)
-            # YES -fopenmp (required for OpenMP symbols)
-            # YES -O3 (match optimization)
-            gfortran -c -O3 -fopenmp "$FILE" || echo "Failed to compile $FILE"
+            # Compile rest
+            gfortran $FLG "$FILE" || echo "Failed to compile $FILE"
           done
           
           # Now rename the old broken target