From 620e8b13eb26dc23a8a1dceefbd5a33d77525c1d Mon Sep 17 00:00:00 2001
From: Matthias Krack <matthias.krack@psi.ch>
Date: Wed, 1 Jul 2026 08:48:46 +0200
Subject: [PATCH] Detect SKALA model path only if gauxc is found

---
 make_cp2k.sh | 42 ++++++++++++++++++++++--------------------
 1 file changed, 22 insertions(+), 20 deletions(-)

diff --git a/make_cp2k.sh b/make_cp2k.sh
index bcacb93ae4..adfcdc9f09 100755
--- a/make_cp2k.sh
+++ b/make_cp2k.sh
@@ -1394,26 +1394,28 @@ fi
 
 # Install Skala resource files if needed
 export GAUXC_SKALA_MODEL="(not available)"
-GAUXC_PATH="share/gauxc/onedft_models"
-GAUXC_PREFIX="$(spack location -i gauxc)"
-GAUXC_MODEL_SOURCE_PATH="${GAUXC_PREFIX%/}/${GAUXC_PATH}"
-if [[ -d "${GAUXC_MODEL_SOURCE_PATH}" ]]; then
-  GAUXC_MODEL_TARGET_PATH="${INSTALL_PREFIX%/}/${GAUXC_PATH}"
-  mkdir -p "${GAUXC_MODEL_TARGET_PATH}"
-  if compgen -G "${GAUXC_MODEL_SOURCE_PATH}/*.fun" > /dev/null; then
-    cp "${GAUXC_MODEL_SOURCE_PATH}"/*.fun "${GAUXC_MODEL_TARGET_PATH}/"
-  else
-    echo -e "\nERROR: No GauXC model files found in source folder ${GAUXC_MODEL_SOURCE_PATH}"
-    ${EXIT_CMD} 1
-  fi
-  shopt -s nullglob
-  MATCHES=("${GAUXC_MODEL_TARGET_PATH}"/skala*)
-  shopt -u nullglob
-  if ((${#MATCHES[@]} > 0)); then
-    export GAUXC_SKALA_MODEL="${MATCHES[${#MATCHES[@]} - 1]}"
-  else
-    echo -e "\nERROR: Failed to resolve GAUXC_SKALA_MODEL in target path ${GAUXC_MODEL_TARGET_PATH}"
-    ${EXIT_CMD} 1
+if spack location -i gauxc &> /dev/null; then
+  GAUXC_PATH="share/gauxc/onedft_models"
+  GAUXC_PREFIX="$(spack location -i gauxc)"
+  GAUXC_MODEL_SOURCE_PATH="${GAUXC_PREFIX%/}/${GAUXC_PATH}"
+  if [[ -d "${GAUXC_MODEL_SOURCE_PATH}" ]]; then
+    GAUXC_MODEL_TARGET_PATH="${INSTALL_PREFIX%/}/${GAUXC_PATH}"
+    mkdir -p "${GAUXC_MODEL_TARGET_PATH}"
+    if compgen -G "${GAUXC_MODEL_SOURCE_PATH}/*.fun" > /dev/null; then
+      cp "${GAUXC_MODEL_SOURCE_PATH}"/*.fun "${GAUXC_MODEL_TARGET_PATH}/"
+    else
+      echo -e "\nERROR: No GauXC model files found in source folder ${GAUXC_MODEL_SOURCE_PATH}"
+      ${EXIT_CMD} 1
+    fi
+    shopt -s nullglob
+    MATCHES=("${GAUXC_MODEL_TARGET_PATH}"/skala*)
+    shopt -u nullglob
+    if ((${#MATCHES[@]} > 0)); then
+      export GAUXC_SKALA_MODEL="${MATCHES[${#MATCHES[@]} - 1]}"
+    else
+      echo -e "\nERROR: Failed to resolve GAUXC_SKALA_MODEL in target path ${GAUXC_MODEL_TARGET_PATH}"
+      ${EXIT_CMD} 1
+    fi
   fi
 fi
 echo -e "\nGAUXC_SKALA_MODEL = ${GAUXC_SKALA_MODEL}"