From 07a43cf6839fef09fcd34c6f1cb17e26d26445b7 Mon Sep 17 00:00:00 2001
From: Matthias Krack <matthias.krack@psi.ch>
Date: Sun, 15 Feb 2026 10:55:18 +0100
Subject: [PATCH] Disable PEXSI when CUDA is used

---
 make_cp2k.sh | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/make_cp2k.sh b/make_cp2k.sh
index 8fb206069f..1f6d047815 100755
--- a/make_cp2k.sh
+++ b/make_cp2k.sh
@@ -683,9 +683,9 @@ if [[ ! -d "${SPACK_BUILD_PATH}" ]]; then
   fi
 
   # Disable PEXSI because of an issue with SuperLU using recent GCC versions
-  if [[ "${CP2K_VERSION}" == "psmp"* ]] && ((GCC_VERSION_NEWEST > 14)); then
+  if ((CUDA_ARCH > 0)) || ((GCC_VERSION_NEWEST > 14)); then
     sed -E -e '/\s*-\s+"pexsi@/ s/^ /#/' -i "${CP2K_CONFIG_FILE}"
-    echo "INFO: PEXSI has been disabled because of an issue with SuperLU using GCC 15 or newer"
+    echo "INFO: PEXSI has been disabled because CUDA or GCC 15 is used"
   fi
 
   # Create CP2K environment if needed