From 97d216a8723e56a9249b6b894fe9a1b34a48382d Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Wed, 25 Sep 2024 17:46:14 +0800
Subject: [PATCH 01/19] add templates/mopac/22.0.4/*

---
 .../data.container-mopac-sve.arm.cpu.config   | 52 +++++++++++++++++++
 .../data.container-mopac.arm.cpu.config       | 52 +++++++++++++++++++
 2 files changed, 104 insertions(+)
 create mode 100644 templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
 create mode 100644 templates/mopac/22.0.4/data.container-mopac.arm.cpu.config

diff --git a/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config b/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
new file mode 100644
index 0000000..a2edcb9
--- /dev/null
+++ b/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
@@ -0,0 +1,52 @@
+[SERVER]
+11.11.11.11
+
+[DOWNLOAD]
+mopac/22.0.4 https://github.com/openmopac/mopac/archive/refs/tags/v22.0.4.tar.gz
+
+
+[DEPENDENCY]
+export CC=mpicc CXX=mpicxx FC=mpifort
+yum install python3 -y
+./jarvis -install package/lapack/3.8.0/bisheng/ bisheng
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
+module add lapack-bisheng/3.8.0
+export LAPACK_PATH=$LAPACK_BISHENG_PATH
+export CFLAGS="-Wno-implicit-function-declaration"
+./jarvis -install package/openblas/0.3.14/ bisheng+mpi
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
+module add openblas/0.3.14
+
+[ENV]
+
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
+module add lapack-bisheng/3.8.0
+export LAPACK_PATH=$LAPACK_BISHENG_PATH
+export CFLAGS="-Wno-implicit-function-declaration"
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
+module add openblas/0.3.14
+export PATH=$JARVIS_ROOT/software/mopac/22.0.4/bin:$PATH
+export LD_LIBRARY_PATH=$JARVIS_ROOT/software/mopac/22.0.4/lib64:$LD_LIBRARY_PATH
+
+
+[APP]
+app_name = mopac
+build_dir = ${JARVIS_ROOT}
+binary_dir = ${JARVIS_ROOT}/software/mopac/22.0.4/bin
+case_dir =
+
+[BUILD]
+rm mopac-22.0.4 -rf
+tar -xf ${JARVIS_DOWNLOAD}/v22.0.4.tar.gz
+cd mopac-22.0.4
+mkdir build && cd build
+cmake -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/mopac/22.0.4 -DCMAKE_C_FLAGS="-mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" -DCMAKE_Fortran_FLAGS="-mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" ..
+make -j
+make install
+
+
+
+[RUN]
+run =  
+binary =
+nodes = 1
diff --git a/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config b/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
new file mode 100644
index 0000000..6e43840
--- /dev/null
+++ b/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
@@ -0,0 +1,52 @@
+[SERVER]
+11.11.11.11
+
+[DOWNLOAD]
+mopac/22.0.4 https://github.com/openmopac/mopac/archive/refs/tags/v22.0.4.tar.gz
+
+
+[DEPENDENCY]
+export CC=mpicc CXX=mpicxx FC=mpifort
+yum install python3 -y
+./jarvis -install package/lapack/3.8.0/bisheng/ bisheng
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
+module add lapack-bisheng/3.8.0
+export LAPACK_PATH=$LAPACK_BISHENG_PATH
+export CFLAGS="-Wno-implicit-function-declaration"
+./jarvis -install package/openblas/0.3.14/ bisheng+mpi
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
+module add openblas/0.3.14
+
+[ENV]
+
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
+module add lapack-bisheng/3.8.0
+export LAPACK_PATH=$LAPACK_BISHENG_PATH
+export CFLAGS="-Wno-implicit-function-declaration"
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
+module add openblas/0.3.14
+export PATH=$JARVIS_ROOT/software/mopac/22.0.4/bin:$PATH
+export LD_LIBRARY_PATH=$JARVIS_ROOT/software/mopac/22.0.4/lib64:$LD_LIBRARY_PATH
+
+
+[APP]
+app_name = mopac
+build_dir = ${JARVIS_ROOT}
+binary_dir = ${JARVIS_ROOT}/software/mopac/22.0.4/bin
+case_dir =
+
+[BUILD]
+rm mopac-22.0.4 -rf
+tar -xf ${JARVIS_DOWNLOAD}/v22.0.4.tar.gz
+cd mopac-22.0.4
+mkdir build && cd build
+cmake -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/mopac/22.0.4  ..
+make -j
+make install
+
+
+
+[RUN]
+run =  
+binary =
+nodes = 1
-- 
Gitee


From db8ab4fee8cf3216f6de80a2478c2dd45fc9c097 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Wed, 25 Sep 2024 17:58:57 +0800
Subject: [PATCH 02/19] add templates/mopac/22.0.4/*

---
 templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config | 1 +
 templates/mopac/22.0.4/data.container-mopac.arm.cpu.config     | 1 +
 2 files changed, 2 insertions(+)

diff --git a/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config b/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
index a2edcb9..2aadd32 100644
--- a/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
+++ b/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
@@ -40,6 +40,7 @@ rm mopac-22.0.4 -rf
 tar -xf ${JARVIS_DOWNLOAD}/v22.0.4.tar.gz
 cd mopac-22.0.4
 mkdir build && cd build
+export CC=mpicc FC=mpifort CXX=mpicxx
 cmake -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/mopac/22.0.4 -DCMAKE_C_FLAGS="-mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" -DCMAKE_Fortran_FLAGS="-mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" ..
 make -j
 make install
diff --git a/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config b/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
index 6e43840..303241c 100644
--- a/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
+++ b/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
@@ -40,6 +40,7 @@ rm mopac-22.0.4 -rf
 tar -xf ${JARVIS_DOWNLOAD}/v22.0.4.tar.gz
 cd mopac-22.0.4
 mkdir build && cd build
+export CC=mpicc FC=mpifort CXX=mpicxx
 cmake -DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/mopac/22.0.4  ..
 make -j
 make install
-- 
Gitee


From 864e6ba19ea551f3b9e7b46ab24449f24db3a575 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Wed, 25 Sep 2024 18:14:53 +0800
Subject: [PATCH 03/19] add templates/mopac/22.0.4/*

---
 templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config | 2 +-
 templates/mopac/22.0.4/data.container-mopac.arm.cpu.config     | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config b/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
index 2aadd32..74cb75e 100644
--- a/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
+++ b/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
@@ -7,7 +7,7 @@ mopac/22.0.4 https://github.com/openmopac/mopac/archive/refs/tags/v22.0.4.tar.gz
 
 [DEPENDENCY]
 export CC=mpicc CXX=mpicxx FC=mpifort
-yum install python3 -y
+yum install python -y
 ./jarvis -install package/lapack/3.8.0/bisheng/ bisheng
 module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
 module add lapack-bisheng/3.8.0
diff --git a/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config b/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
index 303241c..38af003 100644
--- a/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
+++ b/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
@@ -7,7 +7,7 @@ mopac/22.0.4 https://github.com/openmopac/mopac/archive/refs/tags/v22.0.4.tar.gz
 
 [DEPENDENCY]
 export CC=mpicc CXX=mpicxx FC=mpifort
-yum install python3 -y
+yum install python -y
 ./jarvis -install package/lapack/3.8.0/bisheng/ bisheng
 module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
 module add lapack-bisheng/3.8.0
-- 
Gitee


From 56d15f4e16ede44d0e42ea56ff0c9023acaa29d8 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Thu, 26 Sep 2024 10:07:52 +0800
Subject: [PATCH 04/19] add templates/mopac/22.0.4/*

---
 .../mopac/22.0.4/data.container-mopac-sve.arm.cpu.config      | 2 +-
 templates/mopac/22.0.4/data.container-mopac.arm.cpu.config    | 4 ++--
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config b/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
index 74cb75e..be1d945 100644
--- a/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
+++ b/templates/mopac/22.0.4/data.container-mopac-sve.arm.cpu.config
@@ -18,7 +18,7 @@ module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
 module add openblas/0.3.14
 
 [ENV]
-
+export JARVIS_ROOT=/hpcrunner
 module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
 module add lapack-bisheng/3.8.0
 export LAPACK_PATH=$LAPACK_BISHENG_PATH
diff --git a/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config b/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
index 38af003..60d260e 100644
--- a/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
+++ b/templates/mopac/22.0.4/data.container-mopac.arm.cpu.config
@@ -13,12 +13,12 @@ module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
 module add lapack-bisheng/3.8.0
 export LAPACK_PATH=$LAPACK_BISHENG_PATH
 export CFLAGS="-Wno-implicit-function-declaration"
-./jarvis -install package/openblas/0.3.14/ bisheng+mpi
+./jarvis -install package/openblas/0.3.14 bisheng+mpi
 module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
 module add openblas/0.3.14
 
 [ENV]
-
+export JARVIS_ROOT=/hpcrunner
 module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
 module add lapack-bisheng/3.8.0
 export LAPACK_PATH=$LAPACK_BISHENG_PATH
-- 
Gitee


From 3dc07f2962949bc965a2dd6b8a1b003853e00a78 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Sun, 29 Sep 2024 11:31:48 +0800
Subject: [PATCH 05/19] add
 templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config

---
 .../3.14.0/data.qmcpack.arm.cpu.config        | 67 +++++++++++++++++++
 1 file changed, 67 insertions(+)
 create mode 100644 templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config

diff --git a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
new file mode 100644
index 0000000..3d7ebc8
--- /dev/null
+++ b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
@@ -0,0 +1,67 @@
+[SERVER]
+11.11.11.11
+
+[DOWNLOAD]
+qmcpack/3.14.0 $JARVIS_PROXY/QMCPACK/qmcpack/archive/refs/tags/v3.14.0.tar.gz
+
+[DEPENDENCY]
+set -e
+set -x
+export CC=clang CXX=clang++ FC=flang
+export CFLAGS="-Wno-implicit-function-declaration -Wno-enum-constexpr-conversion -Wno-int-conversion"
+./jarvis -install openblas/0.3.14 clang
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
+module add openblas/0.3.14
+sed -i "8a sed -i '130c         struct hash_base : std::__unary_function<T, std::size_t> {};' ./boost/container_hash/hash.hpp" package/boost/1.72.0/clang/install.sh
+sed -i '11c ./b2 toolset=clang cxxflags="-stdlib=libc++ -Wno-enum-constexpr-conversion" linkflags="-stdlib=libc++" install --prefix=\$1 ' package/boost/1.72.0/clang/install.sh
+./jarvis -install boost/1.72.0/clang clang
+module load boost-clang/1.72.0
+./jarvis -install zlib/1.2.11 clang
+module load zlib/1.2.11
+./jarvis -install libxml2/2.10.1 clang
+module load libxml2/2.10.1
+export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort
+./jarvis -install fftw/3.3.8 clang+mpi
+module load fftw/3.3.8
+sed -i '10c ./configure --prefix=$1 --enable-fortran --enable-static=yes --enable-parallel --enable-shared CFLAGS="-O3 -fPIC -Wno-incompatible-pointer-types-discards-qualifiers -Wno-non-literal-null-conversion -Wno-int-conversion -Wno-implicit-function-declaration" FCFLAGS="-O3 -fPIC" LDFLAGS="-Wl,--build-id"' package/hdf5/1.10.1/clang/install.sh
+./jarvis -install hdf5/1.10.1/clang clang+mpi
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
+module load hdf5-clang/1.10.1
+cd ${JARVIS_TMP}
+tar -xvf ${JARVIS_DOWNLOAD}/v3.14.0.tar.gz
+
+[ENV]
+export JARVIS_ROOT=/hpcrunner
+module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.0.0
+module add boost-clang/1.72.0
+module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
+module load cmake/3.23.1 openblas/0.3.14 libxml2/2.10.1
+module load hdf5-clang/1.10.1 fftw/3.3.8 zlib/1.2.11
+export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort
+
+[APP]
+app_name = qmcpack
+build_dir = ${JARVIS_TMP}/qmcpack-3.14.0/build
+binary_dir = ${JARVIS}/software/qmcpack/3.14.0/bin
+case_dir = ${JARVIS_TMP}/qmcpack-3.14.0/build
+
+[BUILD]
+
+export BLAS="-L$JARVIS_ROOT/software/libs/bisheng4.0.0/openblas/0.3.14/lib/ -lblas"
+cmake \
+-DCMAKE_BUILD_TYPE=Release                                              \
+-DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/qmcpack/3.14.0                    \
+-DLIBXML2_LIBRARY=${JARVIS_LIBS}/bisheng4.0.0/libxml2/2.10.1/lib/libxml2.so \
+-DZLIB_LIBRARY=${JARVIS_LIBS}/bisheng4.0.0/zlib/1.2.11/lib/libz.so          \
+-DFFTW_HOME=${JARVIS_LIBS}/bisheng4.0.0/hmpi2.4.1/fftw/3.3.8                    \
+-DBOOST_ROOT=${JARVIS_LIBS}/bisheng4.0.0/boost-clang/1.72.0                 \
+../
+sed -i '130c         struct hash_base : std::unary_function<T, std::size_t> {};' ${JARVIS_ROOT}/software/libs/bisheng4.0.0/boost-clang/1.72.0/include/boost/container_hash/hash.hpp
+make -j
+make install
+
+[RUN]
+#run = export OMPI_ALLOW_RUN_AS_ROOT=1 OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 && ctest -R unit && ctest -R deterministic -LE unstable
+run =
+binary =
+nodes = 1
-- 
Gitee


From ec73409984fbd09a95a62b15523c83e5becbec30 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Sun, 29 Sep 2024 11:41:17 +0800
Subject: [PATCH 06/19] add
 templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config

---
 .../qmcpack/3.14.0/data.qmcpack.arm.cpu.config    | 15 +++++++++------
 1 file changed, 9 insertions(+), 6 deletions(-)

diff --git a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
index 3d7ebc8..e2b262d 100644
--- a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
+++ b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
@@ -27,7 +27,7 @@ sed -i '10c ./configure --prefix=$1 --enable-fortran --enable-static=yes --enabl
 ./jarvis -install hdf5/1.10.1/clang clang+mpi
 module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
 module load hdf5-clang/1.10.1
-cd ${JARVIS_TMP}
+cd ${JARVIS_ROOT}
 tar -xvf ${JARVIS_DOWNLOAD}/v3.14.0.tar.gz
 
 [ENV]
@@ -38,19 +38,22 @@ module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
 module load cmake/3.23.1 openblas/0.3.14 libxml2/2.10.1
 module load hdf5-clang/1.10.1 fftw/3.3.8 zlib/1.2.11
 export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort
+export PATH=${JARVIS_ROOT}/software/libs/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0/bin:$PATH
+export PYTHONPATH=${JARVIS_ROOT}/qmcpack-3.14.0/nexus/lib:$PYTHONPATH
+
 
 [APP]
 app_name = qmcpack
-build_dir = ${JARVIS_TMP}/qmcpack-3.14.0/build
-binary_dir = ${JARVIS}/software/qmcpack/3.14.0/bin
-case_dir = ${JARVIS_TMP}/qmcpack-3.14.0/build
+build_dir = ${JARVIS_ROOT}/qmcpack-3.14.0/build
+binary_dir = ${JARVIS_ROOT}/software/libs/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0/bin
+case_dir = ${JARVIS_ROOT}/qmcpack-3.14.0/build
 
 [BUILD]
 
-export BLAS="-L$JARVIS_ROOT/software/libs/bisheng4.0.0/openblas/0.3.14/lib/ -lblas"
+export BLAS="-L${JARVIS_ROOT}/software/libs/bisheng4.0.0/openblas/0.3.14/lib -lblas"
 cmake \
 -DCMAKE_BUILD_TYPE=Release                                              \
--DCMAKE_INSTALL_PREFIX=${JARVIS_ROOT}/software/qmcpack/3.14.0                    \
+-DCMAKE_INSTALL_PREFIX=${JARVIS_LIBS}/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0                    \
 -DLIBXML2_LIBRARY=${JARVIS_LIBS}/bisheng4.0.0/libxml2/2.10.1/lib/libxml2.so \
 -DZLIB_LIBRARY=${JARVIS_LIBS}/bisheng4.0.0/zlib/1.2.11/lib/libz.so          \
 -DFFTW_HOME=${JARVIS_LIBS}/bisheng4.0.0/hmpi2.4.1/fftw/3.3.8                    \
-- 
Gitee


From b94137176c535ad1f8455a0404b7cf84ac0951dd Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Sun, 29 Sep 2024 11:58:38 +0800
Subject: [PATCH 07/19] add
 templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config

---
 templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config | 1 +
 1 file changed, 1 insertion(+)

diff --git a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
index e2b262d..b46efae 100644
--- a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
+++ b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
@@ -28,6 +28,7 @@ sed -i '10c ./configure --prefix=$1 --enable-fortran --enable-static=yes --enabl
 module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
 module load hdf5-clang/1.10.1
 cd ${JARVIS_ROOT}
+rm qmcpack-3.14.0 -rf
 tar -xvf ${JARVIS_DOWNLOAD}/v3.14.0.tar.gz
 
 [ENV]
-- 
Gitee


From 66934522fc116f7e3b5217084188ec26e15373a5 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Sun, 29 Sep 2024 12:03:10 +0800
Subject: [PATCH 08/19] add
 templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config

---
 templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
index b46efae..84b8ad7 100644
--- a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
+++ b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
@@ -36,7 +36,7 @@ export JARVIS_ROOT=/hpcrunner
 module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.0.0
 module add boost-clang/1.72.0
 module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
-module load cmake/3.23.1 openblas/0.3.14 libxml2/2.10.1
+module load openblas/0.3.14 libxml2/2.10.1
 module load hdf5-clang/1.10.1 fftw/3.3.8 zlib/1.2.11
 export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort
 export PATH=${JARVIS_ROOT}/software/libs/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0/bin:$PATH
-- 
Gitee


From b3ed9455c4a5342b907880575a6a8315adbdb55f Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Sun, 29 Sep 2024 15:01:21 +0800
Subject: [PATCH 09/19] add
 templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config

---
 .../3.14.0/data.qmcpack-sve.arm.cpu.config    | 73 +++++++++++++++++++
 .../3.14.0/data.qmcpack.arm.cpu.config        | 15 ++--
 2 files changed, 81 insertions(+), 7 deletions(-)
 create mode 100644 templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config

diff --git a/templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config b/templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config
new file mode 100644
index 0000000..6c35558
--- /dev/null
+++ b/templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config
@@ -0,0 +1,73 @@
+[SERVER]
+11.11.11.11
+
+[DOWNLOAD]
+qmcpack/3.14.0 $JARVIS_PROXY/QMCPACK/qmcpack/archive/refs/tags/v3.14.0.tar.gz
+
+[DEPENDENCY]
+set -e
+set -x
+export CC=clang CXX=clang++ FC=flang
+export CFLAGS="-Wno-implicit-function-declaration -Wno-enum-constexpr-conversion -Wno-int-conversion"
+./jarvis -install openblas/0.3.14 clang
+module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.0.0
+module add openblas/0.3.14
+sed -i "8a sed -i '130c         struct hash_base : std::__unary_function<T, std::size_t> {};' ./boost/container_hash/hash.hpp" package/boost/1.72.0/clang/install.sh
+sed -i '11c ./b2 toolset=clang cxxflags="-stdlib=libc++ -Wno-enum-constexpr-conversion" linkflags="-stdlib=libc++" install --prefix=\$1 ' package/boost/1.72.0/clang/install.sh
+./jarvis -install boost/1.72.0/clang clang
+module load boost-clang/1.72.0
+./jarvis -install zlib/1.2.11 clang
+module load zlib/1.2.11
+./jarvis -install libxml2/2.10.1 clang
+module load libxml2/2.10.1
+export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort
+./jarvis -install fftw/3.3.8 clang+mpi
+module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.0.0-hmpi2.4.1
+module load fftw/3.3.8
+sed -i '10c ./configure --prefix=$1 --enable-fortran --enable-static=yes --enable-parallel --enable-shared CFLAGS="-O3 -fPIC -Wno-incompatible-pointer-types-discards-qualifiers -Wno-non-literal-null-conversion -Wno-int-conversion -Wno-implicit-function-declaration" FCFLAGS="-O3 -fPIC" LDFLAGS="-Wl,--build-id"' package/hdf5/1.10.1/clang/install.sh
+./jarvis -install hdf5/1.10.1/clang clang+mpi
+module load hdf5-clang/1.10.1
+cd ${JARVIS_ROOT}
+rm qmcpack-3.14.0 -rf
+tar -xvf ${JARVIS_DOWNLOAD}/v3.14.0.tar.gz
+
+[ENV]
+export JARVIS_ROOT=/hpcrunner
+module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.0.0
+module add boost-clang/1.72.0 zlib/1.2.11 libxml2/2.10.1
+module load openblas/0.3.14
+module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.0.0-hmpi2.4.1/
+module load hdf5-clang/1.10.1 fftw/3.3.8
+export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort
+export PATH=${JARVIS_ROOT}/software/libs/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0/bin:$PATH
+export PYTHONPATH=${JARVIS_ROOT}/qmcpack-3.14.0/nexus/lib:$PYTHONPATH
+
+
+[APP]
+app_name = qmcpack
+build_dir = ${JARVIS_ROOT}/qmcpack-3.14.0/build
+binary_dir = ${JARVIS_ROOT}/software/libs/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0/bin
+case_dir = 
+
+[BUILD]
+
+export BLAS="-L${JARVIS_ROOT}/software/libs/bisheng4.0.0/openblas/0.3.14/lib -lblas"
+export CFLAGS="-Wno-implicit-function-declaration -Wno-enum-constexpr-conversion -Wno-int-conversion -mcpu=linxicore9100  -mllvm -force-customized-pipeline=true"
+export FCFLAGS="-mcpu=linxicore9100  -mllvm -force-customized-pipeline=true"
+cmake \
+-DCMAKE_BUILD_TYPE=Release                                              \
+-DCMAKE_INSTALL_PREFIX=${JARVIS_LIBS}/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0                    \
+-DLIBXML2_LIBRARY=${JARVIS_LIBS}/bisheng4.0.0/libxml2/2.10.1/lib/libxml2.so \
+-DZLIB_LIBRARY=${JARVIS_LIBS}/bisheng4.0.0/zlib/1.2.11/lib/libz.so          \
+-DFFTW_HOME=${JARVIS_LIBS}/bisheng4.0.0/hmpi2.4.1/fftw/3.3.8                    \
+-DBOOST_ROOT=${JARVIS_LIBS}/bisheng4.0.0/boost-clang/1.72.0                 \
+../
+sed -i '130c         struct hash_base : std::unary_function<T, std::size_t> {};' ${JARVIS_ROOT}/software/libs/bisheng4.0.0/boost-clang/1.72.0/include/boost/container_hash/hash.hpp
+make -j
+make install
+
+[RUN]
+#run = export OMPI_ALLOW_RUN_AS_ROOT=1 OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 && ctest -R unit && ctest -R deterministic -LE unstable
+run =
+binary =
+nodes = 1
diff --git a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
index 84b8ad7..54bb16e 100644
--- a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
+++ b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
@@ -10,7 +10,7 @@ set -x
 export CC=clang CXX=clang++ FC=flang
 export CFLAGS="-Wno-implicit-function-declaration -Wno-enum-constexpr-conversion -Wno-int-conversion"
 ./jarvis -install openblas/0.3.14 clang
-module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
+module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.0.0
 module add openblas/0.3.14
 sed -i "8a sed -i '130c         struct hash_base : std::__unary_function<T, std::size_t> {};' ./boost/container_hash/hash.hpp" package/boost/1.72.0/clang/install.sh
 sed -i '11c ./b2 toolset=clang cxxflags="-stdlib=libc++ -Wno-enum-constexpr-conversion" linkflags="-stdlib=libc++" install --prefix=\$1 ' package/boost/1.72.0/clang/install.sh
@@ -22,10 +22,10 @@ module load zlib/1.2.11
 module load libxml2/2.10.1
 export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort
 ./jarvis -install fftw/3.3.8 clang+mpi
+module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.0.0-hmpi2.4.1
 module load fftw/3.3.8
 sed -i '10c ./configure --prefix=$1 --enable-fortran --enable-static=yes --enable-parallel --enable-shared CFLAGS="-O3 -fPIC -Wno-incompatible-pointer-types-discards-qualifiers -Wno-non-literal-null-conversion -Wno-int-conversion -Wno-implicit-function-declaration" FCFLAGS="-O3 -fPIC" LDFLAGS="-Wl,--build-id"' package/hdf5/1.10.1/clang/install.sh
 ./jarvis -install hdf5/1.10.1/clang clang+mpi
-module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
 module load hdf5-clang/1.10.1
 cd ${JARVIS_ROOT}
 rm qmcpack-3.14.0 -rf
@@ -34,10 +34,10 @@ tar -xvf ${JARVIS_DOWNLOAD}/v3.14.0.tar.gz
 [ENV]
 export JARVIS_ROOT=/hpcrunner
 module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.0.0
-module add boost-clang/1.72.0
-module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
-module load openblas/0.3.14 libxml2/2.10.1
-module load hdf5-clang/1.10.1 fftw/3.3.8 zlib/1.2.11
+module add boost-clang/1.72.0 zlib/1.2.11 libxml2/2.10.1
+module load openblas/0.3.14
+module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.0.0-hmpi2.4.1/
+module load hdf5-clang/1.10.1 fftw/3.3.8
 export CC=mpicc CXX=mpicxx FC=mpifort F77=mpifort
 export PATH=${JARVIS_ROOT}/software/libs/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0/bin:$PATH
 export PYTHONPATH=${JARVIS_ROOT}/qmcpack-3.14.0/nexus/lib:$PYTHONPATH
@@ -47,11 +47,12 @@ export PYTHONPATH=${JARVIS_ROOT}/qmcpack-3.14.0/nexus/lib:$PYTHONPATH
 app_name = qmcpack
 build_dir = ${JARVIS_ROOT}/qmcpack-3.14.0/build
 binary_dir = ${JARVIS_ROOT}/software/libs/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0/bin
-case_dir = ${JARVIS_ROOT}/qmcpack-3.14.0/build
+case_dir = 
 
 [BUILD]
 
 export BLAS="-L${JARVIS_ROOT}/software/libs/bisheng4.0.0/openblas/0.3.14/lib -lblas"
+export CFLAGS="-Wno-implicit-function-declaration -Wno-enum-constexpr-conversion -Wno-int-conversion"
 cmake \
 -DCMAKE_BUILD_TYPE=Release                                              \
 -DCMAKE_INSTALL_PREFIX=${JARVIS_LIBS}/bisheng4.0.0/hmpi2.4.1/qmcpack/3.14.0                    \
-- 
Gitee


From 88f6aba93a6f2f4a105b848fab1cdfdb4b97a142 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Sun, 29 Sep 2024 17:27:45 +0800
Subject: [PATCH 10/19] add templates/qmcpack/3.14.0/*

---
 templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config | 1 +
 templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config     | 2 +-
 2 files changed, 2 insertions(+), 1 deletion(-)

diff --git a/templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config b/templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config
index 6c35558..68a3bd7 100644
--- a/templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config
+++ b/templates/qmcpack/3.14.0/data.qmcpack-sve.arm.cpu.config
@@ -53,6 +53,7 @@ case_dir =
 
 export BLAS="-L${JARVIS_ROOT}/software/libs/bisheng4.0.0/openblas/0.3.14/lib -lblas"
 export CFLAGS="-Wno-implicit-function-declaration -Wno-enum-constexpr-conversion -Wno-int-conversion -mcpu=linxicore9100  -mllvm -force-customized-pipeline=true"
+export CXXFLAGS="-Wno-implicit-function-declaration -Wno-enum-constexpr-conversion -Wno-int-conversion -mcpu=linxicore9100  -mllvm -force-customized-pipeline=true"
 export FCFLAGS="-mcpu=linxicore9100  -mllvm -force-customized-pipeline=true"
 cmake \
 -DCMAKE_BUILD_TYPE=Release                                              \
diff --git a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
index 54bb16e..a469ae5 100644
--- a/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
+++ b/templates/qmcpack/3.14.0/data.qmcpack.arm.cpu.config
@@ -2,7 +2,7 @@
 11.11.11.11
 
 [DOWNLOAD]
-qmcpack/3.14.0 $JARVIS_PROXY/QMCPACK/qmcpack/archive/refs/tags/v3.14.0.tar.gz
+qmcpack/3.14.0 ${JARVIS_PROXY}/QMCPACK/qmcpack/archive/refs/tags/v3.14.0.tar.gz
 
 [DEPENDENCY]
 set -e
-- 
Gitee


From 27d3fb47c45b8a2a077ef3d9d54838a781057826 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Mon, 30 Sep 2024 10:06:46 +0800
Subject: [PATCH 11/19] add templates/duns/2.7.1/data.container-duns*

---
 .../2.7.1/data.container-duns.arm.cpu.config  | 53 +++++++++++++++++++
 .../data.container-duns_sve.arm.cpu.config    | 53 +++++++++++++++++++
 2 files changed, 106 insertions(+)
 create mode 100644 templates/duns/2.7.1/data.container-duns.arm.cpu.config
 create mode 100644 templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config

diff --git a/templates/duns/2.7.1/data.container-duns.arm.cpu.config b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
new file mode 100644
index 0000000..7d82902
--- /dev/null
+++ b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
@@ -0,0 +1,53 @@
+[SERVER]
+11.11.11.11
+
+[DOWNLOAD]
+duns/2.7.1 https://sourceforge.net/projects/duns/files/duns/duns-2.7.1/duns-2.7.1-src.tar.bz2
+duns_test/2.7.1 https://sourceforge.net/projects/duns/files/duns/duns-2.7.1/duns-2.7.1-test.tar.bz2
+
+[DEPENDENCY]
+set -e
+set -x
+tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-src.tar.bz2 -C ${JARVIS_ROOT}
+tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
+
+[ENV]
+export JARVIS_ROOT=/hpcrunner
+export DUNSARCH=linux
+export DUNSPATH27=${JARVIS_ROOT}/duns-2.7.1
+export PATH=$DUNSPATH27/util:$PATH
+
+[APP]
+app_name = duns
+build_dir = ${JARVIS_ROOT}/duns-2.7.1
+binary_dir =
+case_dir = ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
+
+[BUILD]
+
+BS_LIB=`which clang`
+BS_LIB=$(dirname "$(BS_COMPILER)")
+BS_LIB=${BS_LIB}/lib
+
+sed -i '10s/g77/flang/' makesystem/Makesystem_linux
+sed -i '11s/gcc/clang/' makesystem/Makesystem_linux
+sed -i '12s/g++/clang++/' makesystem/Makesystem_linux
+sed -i '13s/gcc/clang/' makesystem/Makesystem_linux
+sed -i '14s/gcc/clang/' makesystem/Makesystem_linux
+sed -i "28s#.*#SYSLIBS   = -L${BS_LIB} -Wl,-Bdynamic -lgcc_s -lm -lflang -lpgmath#" makesystem/Makesystem_linux
+sed -i '29s#.*#GRAFLIBS  = -lmbgrafic -lgrafic -L/lib64 -Wl,-Bdynamic -lX11 -lflang#' makesystem/Makesystem_linux
+sed -i '339s/help()/help(0)/' src/main.cpp
+sed -i '345s/help()/help(0)/' src/main.cpp
+sed -i '349s/help()/help(0)/' src/main.cpp
+sed -i 's/getline/getline1/g' `grep getline -rl --include="*" ./`
+cd lib; make && make install
+cd ..; dunssource 3d all
+cd duns-3d-all
+make
+mkdir -p ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
+cp duns.e dunsplot.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
+
+[RUN]
+run = ./testscript run
+binary = 
+nodes = 1
diff --git a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
new file mode 100644
index 0000000..7d82902
--- /dev/null
+++ b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
@@ -0,0 +1,53 @@
+[SERVER]
+11.11.11.11
+
+[DOWNLOAD]
+duns/2.7.1 https://sourceforge.net/projects/duns/files/duns/duns-2.7.1/duns-2.7.1-src.tar.bz2
+duns_test/2.7.1 https://sourceforge.net/projects/duns/files/duns/duns-2.7.1/duns-2.7.1-test.tar.bz2
+
+[DEPENDENCY]
+set -e
+set -x
+tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-src.tar.bz2 -C ${JARVIS_ROOT}
+tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
+
+[ENV]
+export JARVIS_ROOT=/hpcrunner
+export DUNSARCH=linux
+export DUNSPATH27=${JARVIS_ROOT}/duns-2.7.1
+export PATH=$DUNSPATH27/util:$PATH
+
+[APP]
+app_name = duns
+build_dir = ${JARVIS_ROOT}/duns-2.7.1
+binary_dir =
+case_dir = ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
+
+[BUILD]
+
+BS_LIB=`which clang`
+BS_LIB=$(dirname "$(BS_COMPILER)")
+BS_LIB=${BS_LIB}/lib
+
+sed -i '10s/g77/flang/' makesystem/Makesystem_linux
+sed -i '11s/gcc/clang/' makesystem/Makesystem_linux
+sed -i '12s/g++/clang++/' makesystem/Makesystem_linux
+sed -i '13s/gcc/clang/' makesystem/Makesystem_linux
+sed -i '14s/gcc/clang/' makesystem/Makesystem_linux
+sed -i "28s#.*#SYSLIBS   = -L${BS_LIB} -Wl,-Bdynamic -lgcc_s -lm -lflang -lpgmath#" makesystem/Makesystem_linux
+sed -i '29s#.*#GRAFLIBS  = -lmbgrafic -lgrafic -L/lib64 -Wl,-Bdynamic -lX11 -lflang#' makesystem/Makesystem_linux
+sed -i '339s/help()/help(0)/' src/main.cpp
+sed -i '345s/help()/help(0)/' src/main.cpp
+sed -i '349s/help()/help(0)/' src/main.cpp
+sed -i 's/getline/getline1/g' `grep getline -rl --include="*" ./`
+cd lib; make && make install
+cd ..; dunssource 3d all
+cd duns-3d-all
+make
+mkdir -p ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
+cp duns.e dunsplot.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
+
+[RUN]
+run = ./testscript run
+binary = 
+nodes = 1
-- 
Gitee


From cb5a06af49b03d6649da806549a9ef422141c3ee Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Mon, 30 Sep 2024 10:17:11 +0800
Subject: [PATCH 12/19] add templates/duns/2.7.1/data.container-duns*

---
 templates/duns/2.7.1/data.container-duns.arm.cpu.config     | 2 +-
 templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/templates/duns/2.7.1/data.container-duns.arm.cpu.config b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
index 7d82902..eb72ffe 100644
--- a/templates/duns/2.7.1/data.container-duns.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
@@ -26,7 +26,7 @@ case_dir = ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
 [BUILD]
 
 BS_LIB=`which clang`
-BS_LIB=$(dirname "$(BS_COMPILER)")
+BS_LIB=$(dirname "$(BS_LIB)")
 BS_LIB=${BS_LIB}/lib
 
 sed -i '10s/g77/flang/' makesystem/Makesystem_linux
diff --git a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
index 7d82902..eb72ffe 100644
--- a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
@@ -26,7 +26,7 @@ case_dir = ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
 [BUILD]
 
 BS_LIB=`which clang`
-BS_LIB=$(dirname "$(BS_COMPILER)")
+BS_LIB=$(dirname "$(BS_LIB)")
 BS_LIB=${BS_LIB}/lib
 
 sed -i '10s/g77/flang/' makesystem/Makesystem_linux
-- 
Gitee


From 62d308b1e04ca49d559bbf834d15b26949556e14 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Mon, 30 Sep 2024 11:20:38 +0800
Subject: [PATCH 13/19] add templates/duns/2.7.1/data.container-duns*

---
 .../duns/2.7.1/data.container-duns.arm.cpu.config      | 10 ++++++----
 .../duns/2.7.1/data.container-duns_sve.arm.cpu.config  | 10 ++++++----
 2 files changed, 12 insertions(+), 8 deletions(-)

diff --git a/templates/duns/2.7.1/data.container-duns.arm.cpu.config b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
index eb72ffe..fb5c26b 100644
--- a/templates/duns/2.7.1/data.container-duns.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
@@ -8,6 +8,7 @@ duns_test/2.7.1 https://sourceforge.net/projects/duns/files/duns/duns-2.7.1/duns
 [DEPENDENCY]
 set -e
 set -x
+rm ${JARVIS_ROOT}/duns-2.7.1 -rf
 tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-src.tar.bz2 -C ${JARVIS_ROOT}
 tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
 
@@ -25,16 +26,17 @@ case_dir = ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
 
 [BUILD]
 
-BS_LIB=`which clang`
-BS_LIB=$(dirname "$(BS_LIB)")
-BS_LIB=${BS_LIB}/lib
+BSLIB=$(dirname `which clang`)
+BSLIB=$(dirname $BSLIB)
+BSLIB=${BSLIB}/lib
 
 sed -i '10s/g77/flang/' makesystem/Makesystem_linux
 sed -i '11s/gcc/clang/' makesystem/Makesystem_linux
 sed -i '12s/g++/clang++/' makesystem/Makesystem_linux
 sed -i '13s/gcc/clang/' makesystem/Makesystem_linux
 sed -i '14s/gcc/clang/' makesystem/Makesystem_linux
-sed -i "28s#.*#SYSLIBS   = -L${BS_LIB} -Wl,-Bdynamic -lgcc_s -lm -lflang -lpgmath#" makesystem/Makesystem_linux
+sed -i "23c CFLAGS   = -O2 -Wno-implicit-function-declaration -Wno-implicit-int" makesystem/Makesystem_linux
+sed -i "28s#.*#SYSLIBS   = -L${BSLIB} -Wl,-Bdynamic -lgcc_s -lm -lflang -lpgmath#" makesystem/Makesystem_linux
 sed -i '29s#.*#GRAFLIBS  = -lmbgrafic -lgrafic -L/lib64 -Wl,-Bdynamic -lX11 -lflang#' makesystem/Makesystem_linux
 sed -i '339s/help()/help(0)/' src/main.cpp
 sed -i '345s/help()/help(0)/' src/main.cpp
diff --git a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
index eb72ffe..0740bb9 100644
--- a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
@@ -8,6 +8,7 @@ duns_test/2.7.1 https://sourceforge.net/projects/duns/files/duns/duns-2.7.1/duns
 [DEPENDENCY]
 set -e
 set -x
+rm ${JARVIS_ROOT}/duns-2.7.1 -rf
 tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-src.tar.bz2 -C ${JARVIS_ROOT}
 tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
 
@@ -25,16 +26,17 @@ case_dir = ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
 
 [BUILD]
 
-BS_LIB=`which clang`
-BS_LIB=$(dirname "$(BS_LIB)")
-BS_LIB=${BS_LIB}/lib
+BSLIB=$(dirname `which clang`)
+BSLIB=$(dirname $BSLIB)
+BSLIB=${BSLIB}/lib
 
 sed -i '10s/g77/flang/' makesystem/Makesystem_linux
 sed -i '11s/gcc/clang/' makesystem/Makesystem_linux
 sed -i '12s/g++/clang++/' makesystem/Makesystem_linux
 sed -i '13s/gcc/clang/' makesystem/Makesystem_linux
 sed -i '14s/gcc/clang/' makesystem/Makesystem_linux
-sed -i "28s#.*#SYSLIBS   = -L${BS_LIB} -Wl,-Bdynamic -lgcc_s -lm -lflang -lpgmath#" makesystem/Makesystem_linux
+sed -i "23c CFLAGS   = -O2 -Wno-implicit-function-declaration -Wno-implicit-int -mcpu=linxicore9100 -mllvm -force-customized-pipeline=true" makesystem/Makesystem_linux
+sed -i "28s#.*#SYSLIBS   = -L${BSLIB} -Wl,-Bdynamic -lgcc_s -lm -lflang -lpgmath#" makesystem/Makesystem_linux
 sed -i '29s#.*#GRAFLIBS  = -lmbgrafic -lgrafic -L/lib64 -Wl,-Bdynamic -lX11 -lflang#' makesystem/Makesystem_linux
 sed -i '339s/help()/help(0)/' src/main.cpp
 sed -i '345s/help()/help(0)/' src/main.cpp
-- 
Gitee


From a55d34ae560c4ad5a2efedee2901c9e3a4805582 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Mon, 30 Sep 2024 11:43:08 +0800
Subject: [PATCH 14/19] add templates/duns/2.7.1/data.container-duns*

---
 templates/duns/2.7.1/data.container-duns.arm.cpu.config     | 1 +
 templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config | 1 +
 2 files changed, 2 insertions(+)

diff --git a/templates/duns/2.7.1/data.container-duns.arm.cpu.config b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
index fb5c26b..6d697b8 100644
--- a/templates/duns/2.7.1/data.container-duns.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
@@ -8,6 +8,7 @@ duns_test/2.7.1 https://sourceforge.net/projects/duns/files/duns/duns-2.7.1/duns
 [DEPENDENCY]
 set -e
 set -x
+yum install libX11 libX11-devel -y
 rm ${JARVIS_ROOT}/duns-2.7.1 -rf
 tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-src.tar.bz2 -C ${JARVIS_ROOT}
 tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
diff --git a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
index 0740bb9..5303e08 100644
--- a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
@@ -8,6 +8,7 @@ duns_test/2.7.1 https://sourceforge.net/projects/duns/files/duns/duns-2.7.1/duns
 [DEPENDENCY]
 set -e
 set -x
+yum install libX11 libX11-devel -y
 rm ${JARVIS_ROOT}/duns-2.7.1 -rf
 tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-src.tar.bz2 -C ${JARVIS_ROOT}
 tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
-- 
Gitee


From d7b34e4089a47fc2b346af4dd04581cc1ddeae6f Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Mon, 30 Sep 2024 11:51:27 +0800
Subject: [PATCH 15/19] add templates/duns/2.7.1/data.container-duns*

---
 templates/duns/2.7.1/data.container-duns.arm.cpu.config     | 2 +-
 templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/templates/duns/2.7.1/data.container-duns.arm.cpu.config b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
index 6d697b8..0788197 100644
--- a/templates/duns/2.7.1/data.container-duns.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
@@ -17,7 +17,7 @@ tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
 export JARVIS_ROOT=/hpcrunner
 export DUNSARCH=linux
 export DUNSPATH27=${JARVIS_ROOT}/duns-2.7.1
-export PATH=$DUNSPATH27/util:$PATH
+export PATH=$DUNSPATH27/util:$DUNSPATH27/duns-3d-all:$PATH
 
 [APP]
 app_name = duns
diff --git a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
index 5303e08..e8563db 100644
--- a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
@@ -17,7 +17,7 @@ tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
 export JARVIS_ROOT=/hpcrunner
 export DUNSARCH=linux
 export DUNSPATH27=${JARVIS_ROOT}/duns-2.7.1
-export PATH=$DUNSPATH27/util:$PATH
+export PATH=$DUNSPATH27/util:$DUNSPATH27/duns-3d-all:$PATH
 
 [APP]
 app_name = duns
-- 
Gitee


From cbbb1309a9329406627c0b0b65677c65ba18798f Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Mon, 30 Sep 2024 14:53:22 +0800
Subject: [PATCH 16/19] add templates/duns/2.7.1/data.container-duns*

---
 templates/duns/2.7.1/data.container-duns.arm.cpu.config   | 8 +++++++-
 .../duns/2.7.1/data.container-duns_sve.arm.cpu.config     | 8 +++++++-
 2 files changed, 14 insertions(+), 2 deletions(-)

diff --git a/templates/duns/2.7.1/data.container-duns.arm.cpu.config b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
index 0788197..a037cd4 100644
--- a/templates/duns/2.7.1/data.container-duns.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
@@ -17,7 +17,7 @@ tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
 export JARVIS_ROOT=/hpcrunner
 export DUNSARCH=linux
 export DUNSPATH27=${JARVIS_ROOT}/duns-2.7.1
-export PATH=$DUNSPATH27/util:$DUNSPATH27/duns-3d-all:$PATH
+export PATH=$DUNSPATH27/util:$DUNSPATH27/duns-3d-all:${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct/duns-3d:$PATH
 
 [APP]
 app_name = duns
@@ -50,6 +50,12 @@ make
 mkdir -p ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 cp duns.e dunsplot.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 
+
+#cduct算例
+cd ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
+./testscript run 
+
+
 [RUN]
 run = ./testscript run
 binary = 
diff --git a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
index e8563db..e7eed1d 100644
--- a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
@@ -17,7 +17,7 @@ tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
 export JARVIS_ROOT=/hpcrunner
 export DUNSARCH=linux
 export DUNSPATH27=${JARVIS_ROOT}/duns-2.7.1
-export PATH=$DUNSPATH27/util:$DUNSPATH27/duns-3d-all:$PATH
+export PATH=$DUNSPATH27/util:$DUNSPATH27/duns-3d-all:${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct/duns-3d:$PATH
 
 [APP]
 app_name = duns
@@ -50,6 +50,12 @@ make
 mkdir -p ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 cp duns.e dunsplot.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 
+
+#cduct算例
+cd ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
+./testscript run 
+
+
 [RUN]
 run = ./testscript run
 binary = 
-- 
Gitee


From 1a232f37b928bbeb4d6b962a0f9e576c35e0f308 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Mon, 30 Sep 2024 15:44:59 +0800
Subject: [PATCH 17/19] add templates/duns/2.7.1/data.container-duns*

---
 templates/duns/2.7.1/data.container-duns.arm.cpu.config     | 3 ++-
 templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config | 5 +++--
 2 files changed, 5 insertions(+), 3 deletions(-)

diff --git a/templates/duns/2.7.1/data.container-duns.arm.cpu.config b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
index a037cd4..29d6890 100644
--- a/templates/duns/2.7.1/data.container-duns.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
@@ -17,7 +17,7 @@ tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
 export JARVIS_ROOT=/hpcrunner
 export DUNSARCH=linux
 export DUNSPATH27=${JARVIS_ROOT}/duns-2.7.1
-export PATH=$DUNSPATH27/util:$DUNSPATH27/duns-3d-all:${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct/duns-3d:$PATH
+export PATH=$DUNSPATH27/util:${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin:$PATH
 
 [APP]
 app_name = duns
@@ -54,6 +54,7 @@ cp duns.e dunsplot.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 #cduct算例
 cd ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
 ./testscript run 
+cp duns-opt.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 
 
 [RUN]
diff --git a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
index e7eed1d..524450f 100644
--- a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
@@ -17,7 +17,7 @@ tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
 export JARVIS_ROOT=/hpcrunner
 export DUNSARCH=linux
 export DUNSPATH27=${JARVIS_ROOT}/duns-2.7.1
-export PATH=$DUNSPATH27/util:$DUNSPATH27/duns-3d-all:${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct/duns-3d:$PATH
+export PATH=$DUNSPATH27/util:${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin:$PATH
 
 [APP]
 app_name = duns
@@ -51,9 +51,10 @@ mkdir -p ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 cp duns.e dunsplot.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 
 
-#cduct算例
+#构建duns-opt.e
 cd ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
 ./testscript run 
+cp duns-opt.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 
 
 [RUN]
-- 
Gitee


From ffd5eedf2316061f7bec0389734e1cd5b4949ca0 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Mon, 30 Sep 2024 15:54:20 +0800
Subject: [PATCH 18/19] add templates/duns/2.7.1/data.container-duns*

---
 templates/duns/2.7.1/data.container-duns.arm.cpu.config     | 2 +-
 templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/templates/duns/2.7.1/data.container-duns.arm.cpu.config b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
index 29d6890..208691f 100644
--- a/templates/duns/2.7.1/data.container-duns.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
@@ -54,7 +54,7 @@ cp duns.e dunsplot.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 #cduct算例
 cd ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
 ./testscript run 
-cp duns-opt.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
+cp duns-3d/duns-opt.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 
 
 [RUN]
diff --git a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
index 524450f..c6289e3 100644
--- a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
@@ -54,7 +54,7 @@ cp duns.e dunsplot.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 #构建duns-opt.e
 cd ${JARVIS_ROOT}/duns-2.7.1/test/serial/cduct
 ./testscript run 
-cp duns-opt.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
+cp duns-3d/duns-opt.e ${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin
 
 
 [RUN]
-- 
Gitee


From 551ccb2cd24db2a3a27a306647f2225c900d7b90 Mon Sep 17 00:00:00 2001
From: chenshaoheng <chenshaoheng3@h-partners.com>
Date: Mon, 30 Sep 2024 16:01:40 +0800
Subject: [PATCH 19/19] add templates/duns/2.7.1/data.container-duns*

---
 templates/duns/2.7.1/data.container-duns.arm.cpu.config     | 2 +-
 templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/templates/duns/2.7.1/data.container-duns.arm.cpu.config b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
index 208691f..3f0cf26 100644
--- a/templates/duns/2.7.1/data.container-duns.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns.arm.cpu.config
@@ -17,7 +17,7 @@ tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
 export JARVIS_ROOT=/hpcrunner
 export DUNSARCH=linux
 export DUNSPATH27=${JARVIS_ROOT}/duns-2.7.1
-export PATH=$DUNSPATH27/util:${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin:$PATH
+export PATH=$DUNSPATH27/util:${JARVIS_ROOT}/software/libs/bisheng4.0.0/duns/2.7.1/bin:$PATH
 
 [APP]
 app_name = duns
diff --git a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
index c6289e3..f1b43c5 100644
--- a/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
+++ b/templates/duns/2.7.1/data.container-duns_sve.arm.cpu.config
@@ -17,7 +17,7 @@ tar -xjf ${JARVIS_DOWNLOAD}/duns-2.7.1-test.tar.bz2 -C ${JARVIS_ROOT}
 export JARVIS_ROOT=/hpcrunner
 export DUNSARCH=linux
 export DUNSPATH27=${JARVIS_ROOT}/duns-2.7.1
-export PATH=$DUNSPATH27/util:${JARVIS_LIBS}/bisheng4.0.0/duns/2.7.1/bin:$PATH
+export PATH=$DUNSPATH27/util:${JARVIS_ROOT}/software/libs/bisheng4.0.0/duns/2.7.1/bin:$PATH
 
 [APP]
 app_name = duns
-- 
Gitee