From b423a1f286f9b96bb2476e6a78f8cb531e4c3524 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Tue, 12 Aug 2025 10:06:42 +0800
Subject: [PATCH 01/11] siesta

---
 .../4.0.2/data.siesta.arm.clang.cpu.config    | 50 +++++++++++++++----
 1 file changed, 40 insertions(+), 10 deletions(-)

diff --git a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
index 3f656166..c3aa282f 100644
--- a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
+++ b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
@@ -7,11 +7,23 @@ siesta/4.0.2 https://launchpadlibrarian.net/379220821/siesta-4.0.2.tar.gz
 [DEPENDENCY]
 source /root/.bashrc
 ln -s /usr/bin/python3 /usr/bin/python
-export CC=mpicc CXX=mpicxx FC=mpifort
-export CFLAGS="-Wno-implicit-function-declaration -Wno-implicit-int"
+#export CC=mpicc CXX=mpicxx FC=mpifort
+#export CFLAGS="-Wno-implicit-function-declaration -Wno-implicit-int"
+
+module purge
+./jarvis -install bisheng/4.1.0 com
+module use ./software/modulefiles
+module load bisheng/4.1.0
+export CC=`which clang`
+export CXX=`which clang++`
+export FC=`which flang`
+
+./jarvis -install hmpi/2.4.2 clang
+module use ./software/moduledeps/bisheng4.1.0
+module load hmpi/2.4.2
 ./jarvis -install lapack/3.8.0/bisheng clang
-module use /hpcrunner/software/moduledeps/bisheng4.0.0/
-export LAPACK_PATH=/hpcrunner/software/libs/bisheng4.0.0/lapack-bisheng/3.8.0/lib
+module use ./software/moduledeps/bisheng4.0.0/
+export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
 module load lapack-bisheng/3.8.0
 ./jarvis -install openblas/0.3.18 clang
 module load openblas/0.3.18
@@ -20,8 +32,21 @@ module load scalapack-clang/2.1.0
 
 
 [ENV]
+module purge
+module use ./software/modulefiles
+module load bisheng/4.1.0
+export CC=`which clang`
+export CXX=`which clang++`
+export FC=`which flang`
+module use ./software/moduledeps/bisheng4.1.0
+module load hmpi/2.4.2
+module use ./software/moduledeps/bisheng4.0.0/
+export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
+module load lapack-bisheng/3.8.0
+module load openblas/0.3.18
+module load scalapack-clang/2.1.0
 export CC=mpicc CXX=mpicxx FC=mpifort
-export PATH=/hpcrunner/siesta-4.0.2/bs_hmpi_compiler:$PATH
+export PATH=${JARVIS_ROOT}/siesta-4.0.2/bs_hmpi_compiler:$PATH
 
 
 [APP]
@@ -32,6 +57,7 @@ case_dir =
 
 [BUILD]
 cd $JARVIS_ROOT/
+rm -rf siesta-4.0.2
 tar xvf ${JARVIS_DOWNLOAD}/siesta-4.0.2.tar.gz
 cd siesta-4.0.2
 mkdir bs_hmpi_compiler
@@ -39,22 +65,26 @@ cd bs_hmpi_compiler
 bash ../Src/obj_setup.sh
 ../Src/configure CC=mpicc CFLAGS='-O3 -march=armv8.2-a -mtune=tsv110 -Wno-implicit-function-declaration -Wno-implicit-int ' FC=mpifort FCFLAGS='-O3 -march=armv8.2-a -mtune=tsv110' --enable-mpi --build=arm-linux --prefix=/hpcrunner/siesta-4.0.2/bs_hmpi_compiler
 
-sed -i "34c\OPENBLAS_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.0.0/openblas/0.3.18/lib/libopenblas.a" arch.make
+sed -i "34c\OPENBLAS_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.1.0/openblas/0.3.18/lib/libopenblas.a" arch.make
 
 sed -i '35c\#BLAS_LIBS=-lblas' arch.make
 sed -i '36c\#LAPACK_LIBS=-llapack' arch.make
 
-sed -i "38c\SCALAPACK_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.0.0/scalapack-clang/2.1.0/lib/libscalapack.a" arch.make
+sed -i "38c\SCALAPACK_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.1.0/scalapack-clang/2.1.0/lib/libscalapack.a" arch.make
 
-sed -i "39c\MATH_LIBS= -Wl,-rpath=${JARVIS_ROOT}/software/compiler/bisheng/3.2.0/lib -lmathlib -lm" arch.make
+sed -i "39c\MATH_LIBS= -Wl,-rpath=${JARVIS_ROOT}/software/compiler/bisheng/4.1.0/lib -lmathlib -lm" arch.make
 
 sed -i '45c\LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(OPENBLAS_LIBS) $(NETCDF_LIBS) $(MATH_LIBS)' arch.make
 
 cd ../Src/FoX/config
 mv config.guess config.guess.bak
 mv config.sub config.sub.bak
-wget http://savannah.gnu.org/cgi-bin/viewcvs/*checkout*/config/config/config.guess
-wget http://savannah.gnu.org/cgi-bin/viewcvs/*checkout*/config/config/config.sub
+#wget http://savannah.gnu.org/cgi-bin/viewcvs/*checkout*/config/config/config.guess
+#wget http://savannah.gnu.org/cgi-bin/viewcvs/*checkout*/config/config/config.sub
+
+wget -O config.guess "https://raw.githubusercontent.com/gcc-mirror/gcc/master/config.guess"
+wget -O config.sub "https://raw.githubusercontent.com/gcc-mirror/gcc/master/config.sub"
+
 chmod +x config.guess
 chmod +x config.sub
 cd ../../../bs_hmpi_compiler
-- 
Gitee


From 50c7f3f8485201c35565da793c56e13e17ef51c0 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Tue, 12 Aug 2025 10:17:24 +0800
Subject: [PATCH 02/11] siesta

---
 .../siesta/4.0.2/data.siesta.arm.clang.cpu.config      | 10 +++++-----
 1 file changed, 5 insertions(+), 5 deletions(-)

diff --git a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
index c3aa282f..0e3d44b1 100644
--- a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
+++ b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
@@ -18,9 +18,9 @@ export CC=`which clang`
 export CXX=`which clang++`
 export FC=`which flang`
 
-./jarvis -install hmpi/2.4.2 clang
-module use ./software/moduledeps/bisheng4.1.0
-module load hmpi/2.4.2
+#./jarvis -install hmpi/2.4.2 clang
+#module use ./software/moduledeps/bisheng4.1.0
+#module load hmpi/2.4.2
 ./jarvis -install lapack/3.8.0/bisheng clang
 module use ./software/moduledeps/bisheng4.0.0/
 export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
@@ -39,13 +39,13 @@ export CC=`which clang`
 export CXX=`which clang++`
 export FC=`which flang`
 module use ./software/moduledeps/bisheng4.1.0
-module load hmpi/2.4.2
+#module load hmpi/2.4.2
 module use ./software/moduledeps/bisheng4.0.0/
 export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
 module load lapack-bisheng/3.8.0
 module load openblas/0.3.18
 module load scalapack-clang/2.1.0
-export CC=mpicc CXX=mpicxx FC=mpifort
+#export CC=mpicc CXX=mpicxx FC=mpifort
 export PATH=${JARVIS_ROOT}/siesta-4.0.2/bs_hmpi_compiler:$PATH
 
 
-- 
Gitee


From cd67530563328d53f1f584f685338f9b48c6bc5e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Tue, 12 Aug 2025 11:30:14 +0800
Subject: [PATCH 03/11] siesta

---
 .../siesta/4.0.2/data.siesta.arm.clang.cpu.config    | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
index 0e3d44b1..18c660b1 100644
--- a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
+++ b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
@@ -9,7 +9,7 @@ source /root/.bashrc
 ln -s /usr/bin/python3 /usr/bin/python
 #export CC=mpicc CXX=mpicxx FC=mpifort
 #export CFLAGS="-Wno-implicit-function-declaration -Wno-implicit-int"
-
+yum install -y cmake
 module purge
 ./jarvis -install bisheng/4.1.0 com
 module use ./software/modulefiles
@@ -18,9 +18,9 @@ export CC=`which clang`
 export CXX=`which clang++`
 export FC=`which flang`
 
-#./jarvis -install hmpi/2.4.2 clang
-#module use ./software/moduledeps/bisheng4.1.0
-#module load hmpi/2.4.2
+./jarvis -install hmpi/2.4.2 clang
+module use ./software/moduledeps/bisheng4.1.0
+module load hmpi/2.4.2
 ./jarvis -install lapack/3.8.0/bisheng clang
 module use ./software/moduledeps/bisheng4.0.0/
 export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
@@ -39,13 +39,13 @@ export CC=`which clang`
 export CXX=`which clang++`
 export FC=`which flang`
 module use ./software/moduledeps/bisheng4.1.0
-#module load hmpi/2.4.2
+module load hmpi/2.4.2
 module use ./software/moduledeps/bisheng4.0.0/
 export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
 module load lapack-bisheng/3.8.0
 module load openblas/0.3.18
 module load scalapack-clang/2.1.0
-#export CC=mpicc CXX=mpicxx FC=mpifort
+export CC=mpicc CXX=mpicxx FC=mpifort
 export PATH=${JARVIS_ROOT}/siesta-4.0.2/bs_hmpi_compiler:$PATH
 
 
-- 
Gitee


From cdb5c9a929b192853390d826d18a0998c35a4ad1 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Tue, 12 Aug 2025 11:33:18 +0800
Subject: [PATCH 04/11] siesta

---
 templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
index 18c660b1..585f2816 100644
--- a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
+++ b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
@@ -21,6 +21,10 @@ export FC=`which flang`
 ./jarvis -install hmpi/2.4.2 clang
 module use ./software/moduledeps/bisheng4.1.0
 module load hmpi/2.4.2
+export CC=`which mpicc`
+export CXX=`which mpicxx`
+export FC=`which gfortran`
+export F77=`which mpifort`
 ./jarvis -install lapack/3.8.0/bisheng clang
 module use ./software/moduledeps/bisheng4.0.0/
 export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
-- 
Gitee


From 1dc7886c8330d883ca2738670b88af7d9c00699e Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Tue, 12 Aug 2025 15:12:07 +0800
Subject: [PATCH 05/11] siesta

---
 .../4.0.2/data.siesta.arm.kpgcc.cpu.config    | 26 ++++++++++++++-----
 1 file changed, 20 insertions(+), 6 deletions(-)

diff --git a/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config
index e5b66328..4b87f504 100644
--- a/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config
+++ b/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config
@@ -7,6 +7,7 @@ siesta/4.0.2 https://launchpadlibrarian.net/379220821/siesta-4.0.2.tar.gz
 [DEPENDENCY]
 set -x
 set -e
+yum install python3-devel -y
 module purge
 ./jarvis -install kgcc/9.3.1 com
 module use ./software/modulefiles
@@ -14,27 +15,35 @@ module load kgcc/9.3.1
 export CC=`which gcc`
 export CXX=`which g++`
 export FC=`which gfortran`
+./jarvis -install cmake/3.23.1 bisheng
+module load cmake/3.23.1
 ./jarvis -install hmpi/1.1.1 gcc
 module load hmpi/1.1.1
 ./jarvis -install openblas/0.3.18 gcc
+module load openblas/0.3.18
 ./jarvis -install lapack/3.8.0 gcc
+module load lapack/3.8.0
 export LAPACK_PATH=$JARVIS_LIBS/kgcc9.3.1/lapack/3.8.0/lib/
 ./jarvis -install scalapack/2.1.0 gcc
+module load scalapack/2.1.0
 cd ${JARVIS_TMP}
+rm -rf siesta-4.0.2
 tar xvf ${JARVIS_DOWNLOAD}/siesta-4.0.2.tar.gz
 
 [ENV]
-module use ./software/modulefiles
 module purge
+module use ./software/modulefiles
 module load kgcc/9.3.1
-module load hmpi/1.1.1
 export CC=`which gcc`
 export CXX=`which g++`
 export FC=`which gfortran`
+module load cmake/3.23.1
+module load hmpi/1.1.1
 module load openblas/0.3.18
+module load lapack/3.8.0
+export LAPACK_PATH=$JARVIS_LIBS/kgcc9.3.1/lapack/3.8.0/lib/
 module load scalapack/2.1.0
 
-
 [APP]
 app_name = siesta
 build_dir = ${JARVIS_ROOT}
@@ -56,15 +65,20 @@ sed -i '36c\#LAPACK_LIBS=-llapack' arch.make
 
 sed -i "38c\SCALAPACK_LIBS=${JARVIS_ROOT}/software/libs/kgcc9.3.1/scalapack/2.1.0/lib/libscalapack.a" arch.make
 
-sed -i "39c\MATH_LIBS= -Wl,-rpath=${JARVIS_ROOT}/software/compiler/kgcc/9.3.1/lib64/libhpc/lib -L${JARVIS_ROOT}/software/compiler/kgcc/9.3.1/lib64/libhpc/lib -lmathlib -lm" arch.make
+sed -i "39c\MATH_LIBS= -Wl,-rpath=${JARVIS_ROOT}/software/compiler/kgcc/9.3.1/lib64/libhpc -L${JARVIS_ROOT}/software/compiler/kgcc/9.3.1/lib64/libhpc -lmathlib -lm" arch.make
 
 sed -i '45c\LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(OPENBLAS_LIBS) $(NETCDF_LIBS) $(MATH_LIBS)' arch.make
 
 cd ../Src/FoX/config
 mv config.guess config.guess.bak
 mv config.sub config.sub.bak
-wget http://savannah.gnu.org/cgi-bin/viewcvs/*checkout*/config/config/config.guess
-wget http://savannah.gnu.org/cgi-bin/viewcvs/*checkout*/config/config/config.sub
+
+#wget http://savannah.gnu.org/cgi-bin/viewcvs/*checkout*/config/config/config.guess
+#wget http://savannah.gnu.org/cgi-bin/viewcvs/*checkout*/config/config/config.sub
+
+wget -O config.guess "https://raw.githubusercontent.com/gcc-mirror/gcc/master/config.guess"
+wget -O config.sub "https://raw.githubusercontent.com/gcc-mirror/gcc/master/config.sub"
+
 chmod +x config.guess
 chmod +x config.sub
 cd ../../../kpgcc_hmpi_compiler
-- 
Gitee


From d9afe6973ec3d4646350f72f158363abe8b0ce25 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Tue, 12 Aug 2025 15:21:45 +0800
Subject: [PATCH 06/11] siesta

---
 templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config
index 4b87f504..7f6c9212 100644
--- a/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config
+++ b/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config
@@ -15,7 +15,7 @@ module load kgcc/9.3.1
 export CC=`which gcc`
 export CXX=`which g++`
 export FC=`which gfortran`
-./jarvis -install cmake/3.23.1 bisheng
+./jarvis -install cmake/3.23.1 gcc
 module load cmake/3.23.1
 ./jarvis -install hmpi/1.1.1 gcc
 module load hmpi/1.1.1
-- 
Gitee


From ee65010e0f6c6225b97ac14dde6469019bfae90b Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Tue, 12 Aug 2025 16:13:56 +0800
Subject: [PATCH 07/11] siesta

---
 templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config | 9 ++-------
 1 file changed, 2 insertions(+), 7 deletions(-)

diff --git a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
index 585f2816..c25e6c53 100644
--- a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
+++ b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
@@ -17,20 +17,15 @@ module load bisheng/4.1.0
 export CC=`which clang`
 export CXX=`which clang++`
 export FC=`which flang`
-
+./jarvis -install openblas/0.3.18 clang
+module load openblas/0.3.18
 ./jarvis -install hmpi/2.4.2 clang
 module use ./software/moduledeps/bisheng4.1.0
 module load hmpi/2.4.2
-export CC=`which mpicc`
-export CXX=`which mpicxx`
-export FC=`which gfortran`
-export F77=`which mpifort`
 ./jarvis -install lapack/3.8.0/bisheng clang
 module use ./software/moduledeps/bisheng4.0.0/
 export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
 module load lapack-bisheng/3.8.0
-./jarvis -install openblas/0.3.18 clang
-module load openblas/0.3.18
 ./jarvis -install scalapack/2.1.0/clang/ clang
 module load scalapack-clang/2.1.0
 
-- 
Gitee


From 6fb68d840ca0013eb328ae89159edab4cb5a22b6 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Tue, 12 Aug 2025 16:51:11 +0800
Subject: [PATCH 08/11] siesta

---
 templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config | 4 ++++
 1 file changed, 4 insertions(+)

diff --git a/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config
index 7f6c9212..c5d4a72d 100644
--- a/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config
+++ b/templates/siesta/4.0.2/data.siesta.arm.kpgcc.cpu.config
@@ -21,6 +21,10 @@ module load cmake/3.23.1
 module load hmpi/1.1.1
 ./jarvis -install openblas/0.3.18 gcc
 module load openblas/0.3.18
+export CC=`which mpicc`
+export CXX=`which mpicxx`
+export FC=`which gfortran`
+export F77=`which mpifort`
 ./jarvis -install lapack/3.8.0 gcc
 module load lapack/3.8.0
 export LAPACK_PATH=$JARVIS_LIBS/kgcc9.3.1/lapack/3.8.0/lib/
-- 
Gitee


From 3d9ee066cee1436ea8d96813630884836917f80b Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Tue, 12 Aug 2025 17:36:22 +0800
Subject: [PATCH 09/11] siesta

---
 package/scalapack/2.1.0/install.sh | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/package/scalapack/2.1.0/install.sh b/package/scalapack/2.1.0/install.sh
index d1ca9985..7634a6c5 100755
--- a/package/scalapack/2.1.0/install.sh
+++ b/package/scalapack/2.1.0/install.sh
@@ -9,8 +9,8 @@ cd scalapack-2.1.0
 cp SLmake.inc.example SLmake.inc
 
 LAPACK_PATH=${LAPACK_PATH}
-sed -i "58s%-lblas%${LAPACK_PATH}/lib64/libblas.so.3.8.0%g" ./SLmake.inc
-sed -i "59s%-llapack%${LAPACK_PATH}/lib64/liblapack.so.3.8.0%g" ./SLmake.inc
+sed -i "58s%-lblas%${LAPACK_PATH}libblas.so.3.8.0%g" ./SLmake.inc
+sed -i "59s%-llapack%${LAPACK_PATH}liblapack.so.3.8.0%g" ./SLmake.inc
 make 
 mkdir $1/lib
 cp *.a $1/lib
-- 
Gitee


From 141fb4f688b259ab96640e1a8fd55b0176b6078a Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Wed, 13 Aug 2025 15:09:53 +0800
Subject: [PATCH 10/11] siesta

---
 .../siesta/4.0.2/data.siesta.arm.clang.cpu.config | 15 +++++++++------
 1 file changed, 9 insertions(+), 6 deletions(-)

diff --git a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
index c25e6c53..f3e7e19b 100644
--- a/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
+++ b/templates/siesta/4.0.2/data.siesta.arm.clang.cpu.config
@@ -7,8 +7,6 @@ siesta/4.0.2 https://launchpadlibrarian.net/379220821/siesta-4.0.2.tar.gz
 [DEPENDENCY]
 source /root/.bashrc
 ln -s /usr/bin/python3 /usr/bin/python
-#export CC=mpicc CXX=mpicxx FC=mpifort
-#export CFLAGS="-Wno-implicit-function-declaration -Wno-implicit-int"
 yum install -y cmake
 module purge
 ./jarvis -install bisheng/4.1.0 com
@@ -17,11 +15,15 @@ module load bisheng/4.1.0
 export CC=`which clang`
 export CXX=`which clang++`
 export FC=`which flang`
-./jarvis -install openblas/0.3.18 clang
-module load openblas/0.3.18
+./jarvis -install openblas/0.3.23 clang
+module load openblas/0.3.23
 ./jarvis -install hmpi/2.4.2 clang
 module use ./software/moduledeps/bisheng4.1.0
 module load hmpi/2.4.2
+export CC=`which mpicc`
+export CXX=`which mpicxx`
+export FC=`which gfortran`
+export F77=`which mpifort`
 ./jarvis -install lapack/3.8.0/bisheng clang
 module use ./software/moduledeps/bisheng4.0.0/
 export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
@@ -42,7 +44,7 @@ module load hmpi/2.4.2
 module use ./software/moduledeps/bisheng4.0.0/
 export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
 module load lapack-bisheng/3.8.0
-module load openblas/0.3.18
+module load openblas/0.3.23
 module load scalapack-clang/2.1.0
 export CC=mpicc CXX=mpicxx FC=mpifort
 export PATH=${JARVIS_ROOT}/siesta-4.0.2/bs_hmpi_compiler:$PATH
@@ -64,7 +66,7 @@ cd bs_hmpi_compiler
 bash ../Src/obj_setup.sh
 ../Src/configure CC=mpicc CFLAGS='-O3 -march=armv8.2-a -mtune=tsv110 -Wno-implicit-function-declaration -Wno-implicit-int ' FC=mpifort FCFLAGS='-O3 -march=armv8.2-a -mtune=tsv110' --enable-mpi --build=arm-linux --prefix=/hpcrunner/siesta-4.0.2/bs_hmpi_compiler
 
-sed -i "34c\OPENBLAS_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.1.0/openblas/0.3.18/lib/libopenblas.a" arch.make
+sed -i "34c\OPENBLAS_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.1.0/openblas/0.3.23/lib/libopenblas.a" arch.make
 
 sed -i '35c\#BLAS_LIBS=-lblas' arch.make
 sed -i '36c\#LAPACK_LIBS=-llapack' arch.make
@@ -96,3 +98,4 @@ run =
 binary =
 nodes = 1
 
+
-- 
Gitee


From 61d99cfce30c028522e90e691787d3c4eb1fb807 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com>
Date: Wed, 13 Aug 2025 16:11:17 +0800
Subject: [PATCH 11/11] siesta

---
 .../4.0.2/data.siesta.arm.sve.cpu.config      | 58 ++++++++++++++-----
 1 file changed, 44 insertions(+), 14 deletions(-)

diff --git a/templates/siesta/4.0.2/data.siesta.arm.sve.cpu.config b/templates/siesta/4.0.2/data.siesta.arm.sve.cpu.config
index a5a7595e..3f0b85c2 100644
--- a/templates/siesta/4.0.2/data.siesta.arm.sve.cpu.config
+++ b/templates/siesta/4.0.2/data.siesta.arm.sve.cpu.config
@@ -6,23 +6,48 @@ siesta/4.0.2 https://launchpadlibrarian.net/379220821/siesta-4.0.2.tar.gz
 
 [DEPENDENCY]
 source /root/.bashrc
-
 ln -s /usr/bin/python3 /usr/bin/python
-export CC=mpicc CXX=mpicxx FC=mpifort
-export CFLAGS="-Wno-implicit-function-declaration -Wno-implicit-int"
+yum install -y cmake
+module purge
+./jarvis -install bisheng/4.1.0 com
+module use ./software/modulefiles
+module load bisheng/4.1.0
+export CC=`which clang`
+export CXX=`which clang++`
+export FC=`which flang`
+./jarvis -install openblas/0.3.23 clang
+module load openblas/0.3.23
+./jarvis -install hmpi/2.4.2 clang
+module use ./software/moduledeps/bisheng4.1.0
+module load hmpi/2.4.2
+export CC=`which mpicc`
+export CXX=`which mpicxx`
+export FC=`which gfortran`
+export F77=`which mpifort`
 ./jarvis -install lapack/3.8.0/bisheng clang
-module use /hpcrunner/software/moduledeps/bisheng4.0.0/
-export LAPACK_PATH=/hpcrunner/software/libs/bisheng4.0.0/lapack-bisheng/3.8.0/lib
+module use ./software/moduledeps/bisheng4.0.0/
+export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
 module load lapack-bisheng/3.8.0
-./jarvis -install openblas/0.3.18 clang
-module load openblas/0.3.18
 ./jarvis -install scalapack/2.1.0/clang/ clang
 module load scalapack-clang/2.1.0
 
 
 [ENV]
+module purge
+module use ./software/modulefiles
+module load bisheng/4.1.0
+export CC=`which clang`
+export CXX=`which clang++`
+export FC=`which flang`
+module use ./software/moduledeps/bisheng4.1.0
+module load hmpi/2.4.2
+module use ./software/moduledeps/bisheng4.0.0/
+export LAPACK_PATH=${JARVIS_ROOT}/software/libs/bisheng4.1.0/lapack-bisheng/3.8.0
+module load lapack-bisheng/3.8.0
+module load openblas/0.3.23
+module load scalapack-clang/2.1.0
 export CC=mpicc CXX=mpicxx FC=mpifort
-export PATH=/hpcrunner/siesta-4.0.2/bs_hmpi_compiler:$PATH
+export PATH=${JARVIS_ROOT}/siesta-4.0.2/bs_hmpi_compiler:$PATH
 
 
 [APP]
@@ -33,29 +58,32 @@ case_dir =
 
 [BUILD]
 cd $JARVIS_ROOT/
+rm -rf siesta-4.0.2
 tar xvf ${JARVIS_DOWNLOAD}/siesta-4.0.2.tar.gz
 cd siesta-4.0.2
 mkdir bs_hmpi_compiler
 cd bs_hmpi_compiler
 bash ../Src/obj_setup.sh
-../Src/configure CC=mpicc CFLAGS='-O3 -march=armv8.2-a -mtune=tsv110 -Wno-implicit-function-declaration -Wno-implicit-int   -mcpu=linxicore9100  -mllvm -force-customized-pipeline=true  ' FC=mpifort FCFLAGS='-O3 -march=armv8.2-a -mtune=tsv110 -Wno-implicit-function-declaration -Wno-implicit-int   -mcpu=linxicore9100  -mllvm -force-customized-pipeline=true   ' --enable-mpi --build=arm-linux --prefix=/hpcrunner/siesta-4.0.2/bs_hmpi_compiler
+../Src/configure CC=mpicc CFLAGS='-O3 -march=armv8.2-a -mtune=tsv110 -Wno-implicit-function-declaration -Wno-implicit-int ' FC=mpifort FCFLAGS='-O3 -march=armv8.2-a -mtune=tsv110' --enable-mpi --build=arm-linux --prefix=/hpcrunner/siesta-4.0.2/bs_hmpi_compiler
 
-sed -i "34c\OPENBLAS_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.0.0/openblas/0.3.18/lib/libopenblas.a" arch.make
+sed -i "34c\OPENBLAS_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.1.0/openblas/0.3.23/lib/libopenblas.a" arch.make
 
 sed -i '35c\#BLAS_LIBS=-lblas' arch.make
 sed -i '36c\#LAPACK_LIBS=-llapack' arch.make
 
-sed -i "38c\SCALAPACK_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.0.0/scalapack-clang/2.1.0/lib/libscalapack.a" arch.make
+sed -i "38c\SCALAPACK_LIBS=${JARVIS_ROOT}/software/libs/bisheng4.1.0/scalapack-clang/2.1.0/lib/libscalapack.a" arch.make
 
-sed -i "39c\MATH_LIBS= -Wl,-rpath=${JARVIS_ROOT}/software/compiler/bisheng/3.2.0/lib -lmathlib -lm" arch.make
+sed -i "39c\MATH_LIBS= -Wl,-rpath=${JARVIS_ROOT}/software/compiler/bisheng/4.1.0/lib -lmathlib -lm" arch.make
 
 sed -i '45c\LIBS=$(SCALAPACK_LIBS) $(BLACS_LIBS) $(OPENBLAS_LIBS) $(NETCDF_LIBS) $(MATH_LIBS)' arch.make
 
 cd ../Src/FoX/config
 mv config.guess config.guess.bak
 mv config.sub config.sub.bak
-wget http://savannah.gnu.org/cgi-bin/viewcvs/*checkout*/config/config/config.guess
-wget http://savannah.gnu.org/cgi-bin/viewcvs/*checkout*/config/config/config.sub
+
+wget -O config.guess "https://raw.githubusercontent.com/gcc-mirror/gcc/master/config.guess"
+wget -O config.sub "https://raw.githubusercontent.com/gcc-mirror/gcc/master/config.sub"
+
 chmod +x config.guess
 chmod +x config.sub
 cd ../../../bs_hmpi_compiler
@@ -68,3 +96,5 @@ run =
 binary =
 nodes = 1
 
+
+
-- 
Gitee