Revise CUDA activation for libfabric

make_cp2k.sh

@@ -847,8 +847,9 @@ if [[ ! -d "${SPACK_BUILD_PATH}" ]]; then
     sed -E \
       -e "0,/~cuda/s//+cuda cuda_arch=${CUDA_ARCH}/" \
       -e '/\s*#\s*-\s+"\+cuda\s+\+gpu_direct"/ s/#/ /' \
+      -e 's/"~cuda\s+~gdrcopy"/"\+cuda \+gdrcopy"/' \
+      -e '/\s*#\s*-\s+"fabrics=efa,ucx"/ s/#/ /' \
       -i "${CP2K_CONFIG_FILE}"
-    # -e '/\s*#\s*-\s+"\+cuda\s+\+gdrcopy"/ s/#/ /' \
     if [[ -n "${CUDA_VERSION:-}" ]]; then
       sed -E -e "s/spec:\s+cuda@[.0-9]*/spec: cuda@${CUDA_VERSION}/" -i "${CP2K_CONFIG_FILE}"
     fi

tools/spack/cp2k_deps_psmp.yaml

@@ -114,9 +114,8 @@ spack:
 
     libfabric:
       require:
-        - "~cuda"
-#       - "+cuda +gdrcopy"
-#       - "fabrics=cxi"
+        - "~cuda ~gdrcopy"
+#       - "fabrics=efa,ucx"
 
     libint:
       require: