Toolchain intel update to fix issue #6190 (#6451)

* Update LibRI version, apply patch to cereal to fix issue 6190.

* Enables libri and libcomm by default in the script

Author: Kai Luo (罗凯)

toolchain/build_abacus_intel.sh

@@ -29,8 +29,8 @@ LIBXC=$INSTALL_DIR/libxc-7.0.0
 RAPIDJSON=$INSTALL_DIR/rapidjson-master/
 # LIBTORCH=$INSTALL_DIR/libtorch-2.1.2/share/cmake/Torch
 # LIBNPY=$INSTALL_DIR/libnpy-1.0.1/include
-# LIBRI=$INSTALL_DIR/LibRI-0.2.1.0
-# LIBCOMM=$INSTALL_DIR/LibComm-master
+LIBRI=$INSTALL_DIR/LibRI-0.2.1.1
+LIBCOMM=$INSTALL_DIR/LibComm-master
 # DEEPMD=$HOME/apps/anaconda3/envs/deepmd # v3.0 might have problem
 
 # Notice: if you are compiling with AMD-CPU or GPU-version ABACUS, then `icpc` and `mpiicpc` compilers are recommended 
@@ -47,13 +47,13 @@ cmake -B $BUILD_DIR -DCMAKE_INSTALL_PREFIX=$PREFIX \
         -DUSE_ELPA=ON \
         -DENABLE_RAPIDJSON=ON \
         -DRapidJSON_DIR=$RAPIDJSON \
+        -DLIBRI_DIR=$LIBRI \
+	-DLIBCOMM_DIR=$LIBCOMM \
 #         -DENABLE_DEEPKS=1 \
 #         -DTorch_DIR=$LIBTORCH \
 #         -Dlibnpy_INCLUDE_DIR=$LIBNPY \
-#         -DENABLE_LIBRI=ON \
-#         -DLIBRI_DIR=$LIBRI \
-#         -DLIBCOMM_DIR=$LIBCOMM \
-# 	      -DDeePMD_DIR=$DEEPMD \
+#	  -DENABLE_LIBRI=ON \
+# 	  -DDeePMD_DIR=$DEEPMD \
 #         -DUSE_CUDA=ON \
 #         -DENABLE_CUSOLVERMP=ON \
 #         -D CAL_CUSOLVERMP_PATH=/opt/nvidia/hpc_sdk/Linux_x86_64/2x.xx/math_libs/1x.x/targets/x86_64-linux/lib

toolchain/scripts/patches/6190.patch

@@ -0,0 +1,41 @@
+From 409db5e910279224bd7e78f8188450c7e7d34d87 Mon Sep 17 00:00:00 2001
+From: Khem Raj <[email protected]>
+Date: Tue, 10 Sep 2024 18:11:40 -0700
+Subject: [PATCH] Fix instances of
+ -Wmissing-template-arg-list-after-template-kw.
+
+Clang has a new warning that requires a template argument list after using
+the template keyword. Remove uses of the template keyword when we're not
+specifying types.
+
+See https://github.com/llvm/llvm-project/issues/94194 for the upstream
+clang changes
+
+Signed-off-by: Khem Raj <[email protected]>
+---
+ include/cereal/types/tuple.hpp | 4 ++--
+ 1 file changed, 2 insertions(+), 2 deletions(-)
+
+diff --git a/include/cereal/types/tuple.hpp b/include/cereal/types/tuple.hpp
+index 80c68075..5c79eca9 100644
+--- a/include/cereal/types/tuple.hpp
++++ b/include/cereal/types/tuple.hpp
+@@ -95,7 +95,7 @@ namespace cereal
+       template <class Archive, class ... Types> inline
+       static void apply( Archive & ar, std::tuple<Types...> & tuple )
+       {
+-        serialize<Height - 1>::template apply( ar, tuple );
++        serialize<Height - 1>::apply( ar, tuple );
+         ar( CEREAL_NVP_(tuple_element_name<Height - 1>::c_str(),
+             std::get<Height - 1>( tuple )) );
+       }
+@@ -116,7 +116,7 @@ namespace cereal
+   template <class Archive, class ... Types> inline
+   void CEREAL_SERIALIZE_FUNCTION_NAME( Archive & ar, std::tuple<Types...> & tuple )
+   {
+-    tuple_detail::serialize<std::tuple_size<std::tuple<Types...>>::value>::template apply( ar, tuple );
++    tuple_detail::serialize<std::tuple_size<std::tuple<Types...>>::value>::apply( ar, tuple );
+   }
+ } // namespace cereal
+
+ 

toolchain/scripts/stage4/install_cereal.sh

@@ -50,6 +50,11 @@ case "$with_cereal" in
         [ -d $dirname ] && rm -rf $dirname
         tar -xzf $filename
         #unzip -q $filename
+        # apply patch files for libri installation in issue #6190, Kai Luo
+        # echo ${SCRIPT_DIR}
+        cd $dirname && pwd && patch -p1 < ${SCRIPT_DIR}/patches/6190.patch
+        cd "${BUILDDIR}"
+        # 
         mkdir -p "${pkg_install_dir}"
         cp -r $dirname/* "${pkg_install_dir}/"
         write_checksums "${install_lock_file}" "${SCRIPT_DIR}/stage4/$(basename ${SCRIPT_NAME})"

toolchain/scripts/stage4/install_libri.sh

@@ -14,8 +14,9 @@ SCRIPT_DIR="$(cd "$(dirname "$SCRIPT_NAME")/.." && pwd -P)"
 # libri 0.2.0 and above need to be used in newer ABACUS
 # libri_ver="master"
 # libri_sha256="--no-checksum"
-libri_ver=0.2.1.0
-libri_sha256="66a5540daba36effdad6ce2fe5e8368b96ddd4a7e148af90894ef21dc20ff29f"
+libri_ver=0.2.1.1
+libri_sha256="cd33fd5428400ea696b82c9132878c07bf785847b3f56b1979e25a3a5fc0b311"
+# libri_sha256="66a5540daba36effdad6ce2fe5e8368b96ddd4a7e148af90894ef21dc20ff29f"
 source "${SCRIPT_DIR}"/common_vars.sh
 source "${SCRIPT_DIR}"/tool_kit.sh
 source "${SCRIPT_DIR}"/signal_trap.sh

toolchain/toolchain_intel.sh

@@ -29,13 +29,13 @@
 --with-rapidjson=install \
 --with-libtorch=no \
 --with-libnpy=no \
---with-libri=no \
---with-libcomm=no \
+--with-libri=install \
+--with-libcomm=install \
 --with-intel-classic=no \
 | tee compile.log
 # for using AMD-CPU or GPU-version: set --with-intel-classic=yes
 # to enable gpu-lcao, add the following lines:
 # --enable-cuda \
 # --gpu-ver=75 \ 
 # one should check your gpu compute capability number 
-# and use it in --gpu-ver
+# and use it in --gpu-ver