From ed9ef77eaea4e3c5220e01e6aa886eadfc511544 Mon Sep 17 00:00:00 2001
From: SY Wang <uwsy1059@qq.com>
Date: Wed, 25 Feb 2026 22:50:05 +0800
Subject: [PATCH] Fix behavior of `-ef/-df dlaf` and allow running as root with
 OpenMPI by default (#4877)

---
 make_cp2k.sh | 6 ++----
 1 file changed, 2 insertions(+), 4 deletions(-)

diff --git a/make_cp2k.sh b/make_cp2k.sh
index 4e6c2b4f1d..830728c412 100755
--- a/make_cp2k.sh
+++ b/make_cp2k.sh
@@ -256,7 +256,7 @@ while [[ $# -gt 0 ]]; do
                 SED_PATTERN_LIST+=" -e '/\s*-\s+\"py-torch@/ ${SUBST}"
                 ;;
               dlaf)
-                SED_PATTERN_LIST+=" -e '/\s*-\s+\"dla-future*@/ ${SUBST}"
+                SED_PATTERN_LIST+=" -e '/\s*-\s+\"dla-future.*@/ ${SUBST}"
                 ;;
               fftw3)
                 SED_PATTERN_LIST+=" -e '/\s*-\s+\"fftw@/ ${SUBST}"
@@ -1228,10 +1228,8 @@ ln -sf cp2k."${VERSION}" cp2k_shell
 cd "${CP2K_ROOT}" || ${EXIT_CMD} 1
 
 # Allow to run as root within a container with OpenMPI
-if [[ "${MPI_MODE}" == "openmpi" ]] && [[ "${IN_CONTAINER}" == "yes" ]]; then
+if [[ "${MPI_MODE}" == "openmpi" ]]; then
   OMPI_VARS="export OMPI_ALLOW_RUN_AS_ROOT=1 OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 OMPI_MCA_plm_rsh_agent=/bin/false"
-else
-  OMPI_VARS="export OMPI_MCA_plm_rsh_agent=/bin/false"
 fi
 export OMPI_VARS