From 7a8bbbd46a78bfe015088e69a3778da2df75839f Mon Sep 17 00:00:00 2001
From: Growl <uwsy1059@qq.com>
Date: Sat, 7 Feb 2026 12:11:03 +0800
Subject: [PATCH] Toolchain: Small fixes following up #4784 and #4787

---
 tools/toolchain/scripts/common_vars.sh              | 2 +-
 tools/toolchain/scripts/stage1/install_mpich.sh     | 7 ++++++-
 tools/toolchain/scripts/stage2/install_openblas.sh  | 2 +-
 tools/toolchain/scripts/stage4/install_scalapack.sh | 4 ++--
 tools/toolchain/scripts/stage9/install_dbcsr.sh     | 2 +-
 5 files changed, 11 insertions(+), 6 deletions(-)

diff --git a/tools/toolchain/scripts/common_vars.sh b/tools/toolchain/scripts/common_vars.sh
index e65be330ec..01c6edba90 100644
--- a/tools/toolchain/scripts/common_vars.sh
+++ b/tools/toolchain/scripts/common_vars.sh
@@ -19,7 +19,7 @@ OPENBLAS_LIBCORE=${OPENBLAS_LIBCORE:-''}
 
 # search paths
 SYS_INCLUDE_PATH=${SYS_INCLUDE_PATH:-'/usr/local/include:/usr/include'}
-SYS_LIB_PATH=${SYS_LIB_PATHS:-'/usr/local/lib64:/usr/local/lib:/usr/lib64:/usr/lib:/lib64:/lib'}
+SYS_LIB_PATH=${SYS_LIB_PATHS:-'/usr/local/lib64:/usr/local/lib:/usr/lib64:/usr/lib:/usr/lib/x86_64-linux-gnu:/usr/lib/aarch-linux-gnu:/lib64:/lib'}
 INCLUDE_PATHS=${INCLUDE_PATHS:-"CPATH SYS_INCLUDE_PATH"}
 LIB_PATHS=${LIB_PATHS:-'LD_LIBRARY_PATH LIBRARY_PATH LD_RUN_PATH SYS_LIB_PATH'}
 
diff --git a/tools/toolchain/scripts/stage1/install_mpich.sh b/tools/toolchain/scripts/stage1/install_mpich.sh
index 8d83223fae..3290072c28 100755
--- a/tools/toolchain/scripts/stage1/install_mpich.sh
+++ b/tools/toolchain/scripts/stage1/install_mpich.sh
@@ -135,7 +135,12 @@ export MPICH_LIBS="${MPICH_LIBS}"
 export MPI_CFLAGS="${MPICH_CFLAGS}"
 export MPI_LDFLAGS="${MPICH_LDFLAGS}"
 export MPI_LIBS="${MPICH_LIBS}"
-export CP_DFLAGS="\${CP_DFLAGS} IF_MPI(-D__parallel -D__MPI_F08|)"
+export CP_DFLAGS="\${CP_DFLAGS} IF_MPI(-D__parallel|)"
+# For proper mpi_f08 support, we need at least GCC version 9 (asynchronous keyword)
+# Other compilers should work
+  if ! [ "\$(gfortran -dumpversion | cut -d. -f1)" -lt 9 ]; then
+    export CP_DFLAGS="\${CP_DFLAGS} IF_MPI(-D__MPI_F08|)"
+  fi
 export CP_CFLAGS="\${CP_CFLAGS} IF_MPI(${MPICH_CFLAGS}|)"
 export CP_LDFLAGS="\${CP_LDFLAGS} IF_MPI(${MPICH_LDFLAGS}|)"
 export CP_LIBS="\${CP_LIBS} IF_MPI(${MPICH_LIBS}|)"
diff --git a/tools/toolchain/scripts/stage2/install_openblas.sh b/tools/toolchain/scripts/stage2/install_openblas.sh
index 0aafab8ad2..8e74d2973e 100755
--- a/tools/toolchain/scripts/stage2/install_openblas.sh
+++ b/tools/toolchain/scripts/stage2/install_openblas.sh
@@ -109,7 +109,7 @@ case "${with_openblas}" in
     check_lib -lopenblas_openmp 2> /dev/null && OPENBLAS_LIBS="-lopenblas_openmp"
     check_lib -lopenblas_omp 2> /dev/null && OPENBLAS_LIBS="-lopenblas_omp"
     pkg_install_dir="$(dirname $(dirname $(find_in_paths "libopenblas.*" $LIB_PATHS)))"
-    # Deal with the condition that libfftw3 is installed in "/usr/lib/x86_64-linux-gnu"
+    # Deal with the condition that libopenblas is installed in "/usr/lib/x86_64-linux-gnu"
     if [[ "${pkg_install_dir}" == "/usr/lib"* ]]; then
       pkg_install_dir="/usr"
     else
diff --git a/tools/toolchain/scripts/stage4/install_scalapack.sh b/tools/toolchain/scripts/stage4/install_scalapack.sh
index 9fd5cf88e3..3221529db3 100755
--- a/tools/toolchain/scripts/stage4/install_scalapack.sh
+++ b/tools/toolchain/scripts/stage4/install_scalapack.sh
@@ -73,11 +73,11 @@ case "$with_scalapack" in
     echo "==================== Finding ScaLAPACK from system paths ===================="
     check_lib -lscalapack "ScaLAPACK"
     pkg_install_dir="$(dirname $(dirname $(find_in_paths "libscalapack*" $LIB_PATHS)))"
-    # Deal with the condition that libfftw3 is installed in "/usr/lib/x86_64-linux-gnu"
+    # Deal with the condition that libscalapack is installed in "/usr/lib/x86_64-linux-gnu"
     if [[ "${pkg_install_dir}" == "/usr/lib"* ]]; then
       pkg_install_dir="/usr"
     fi
-    add_lib_from_paths SCALAPACK_LDFLAGS "libscalapack.*" $LIB_PATHS
+    add_lib_from_paths SCALAPACK_LDFLAGS "libscalapack*" $LIB_PATHS
     ;;
   __DONTUSE__) ;;
 
diff --git a/tools/toolchain/scripts/stage9/install_dbcsr.sh b/tools/toolchain/scripts/stage9/install_dbcsr.sh
index 040bb0cc46..b2eae32bfa 100755
--- a/tools/toolchain/scripts/stage9/install_dbcsr.sh
+++ b/tools/toolchain/scripts/stage9/install_dbcsr.sh
@@ -49,7 +49,7 @@ case "${with_dbcsr}" in
         CMAKE_OPTIONS="${CMAKE_OPTIONS} -DUSE_MPI=OFF"
       else
         CMAKE_OPTIONS="${CMAKE_OPTIONS} -DUSE_MPI=ON"
-        if [ -n $(grep "MPI_F08" "${INSTALLDIR}"/toolchain.env) ]; then
+        if [ -n "$(grep "MPI_F08" "${INSTALLDIR}"/toolchain.env)" ]; then
           CMAKE_OPTIONS="${CMAKE_OPTIONS} -DCP2K_USE_MPI_F08=ON"
         fi
       fi