From 7b9362be81b67642f57c2257ea7efeca530a95d1 Mon Sep 17 00:00:00 2001
From: yyyaaa111 <2393110978@qq.com>
Date: Mon, 15 Dec 2025 11:45:05 +0800
Subject: [PATCH 1/3] update fftw

---
 package/fftw/meta.sh | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/package/fftw/meta.sh b/package/fftw/meta.sh
index c717953c..06a79cdd 100644
--- a/package/fftw/meta.sh
+++ b/package/fftw/meta.sh
@@ -21,13 +21,13 @@ cd fftw-${fftw_ver}
 fi
 
 
-./configure --prefix=$1 --enable-single --enable-float --enable-neon --enable-shared --enable-threads --enable-openmp --enable-mpi CFLAGS="-O3 -fomit-frame-pointer -fstrict-aliasing"
+./configure --prefix=$1 --enable-dft=yes --enable-single --enable-float --enable-neon --enable-shared --enable-threads --enable-openmp --enable-mpi CFLAGS="-O3 -fomit-frame-pointer -fstrict-aliasing"
 make -j && make install
 make clean
-./configure --prefix=$1 --enable-long-double --enable-shared --enable-threads --enable-openmp --enable-mpi CFLAGS="-O3 -fomit-frame-pointer -fstrict-aliasing"
+./configure --prefix=$1 --enable-dft=yes --enable-long-double --enable-shared --enable-threads --enable-openmp --enable-mpi CFLAGS="-O3 -fomit-frame-pointer -fstrict-aliasing"
 make -j && make install
 make clean
-./configure --prefix=$1 --enable-shared --enable-threads --enable-openmp --enable-mpi CFLAGS="-O3 -fomit-frame-pointer -fstrict-aliasing"
+./configure --prefix=$1 --enable-dft=yes --enable-shared --enable-threads --enable-openmp --enable-mpi CFLAGS="-O3 -fomit-frame-pointer -fstrict-aliasing"
 make -j && make install
 
 
-- 
Gitee


From 3d46859406b085216d7f9b0d95d20ef495c0f070 Mon Sep 17 00:00:00 2001
From: yyyaaa111 <2393110978@qq.com>
Date: Mon, 15 Dec 2025 14:21:24 +0800
Subject: [PATCH 2/3] update cp2k-7.1-opt

---
 .../CP2K/7.1/bisheng/Linux-arm-clang-opt.psmp | 23 +++++++--------
 .../7.1/bisheng/data.CP2K.arm-opt.cpu.config  | 28 ++++++++-----------
 2 files changed, 24 insertions(+), 27 deletions(-)

diff --git a/templates/CP2K/7.1/bisheng/Linux-arm-clang-opt.psmp b/templates/CP2K/7.1/bisheng/Linux-arm-clang-opt.psmp
index b9a2dead..75c9682d 100644
--- a/templates/CP2K/7.1/bisheng/Linux-arm-clang-opt.psmp
+++ b/templates/CP2K/7.1/bisheng/Linux-arm-clang-opt.psmp
@@ -40,21 +40,21 @@ SPGLIB_LIB  = $(SPGLIB_DIR)/lib64
 #LIBXSMM_INC = $(LIBXSMM_DIR)/include
 #LIBXSMM_LIB = $(LIBXSMM_DIR)/lib
 
-BLAS_DIR    = $(BISHENG_LIB_PATH)/kml-bisheng/2.4.0
+BLAS_DIR    = ${JARVIS_UTILS}/hpckit/${HPCKIT_VERSION}/HPCKit/latest/kml/bisheng
 BLAS_INC    = $(BLAS_DIR)/include
-BLAS_LIB    = $(BLAS_DIR)/lib/kblas/omp
+BLAS_LIB    = $(BLAS_DIR)/lib/${kp}/kblas/multi
  
-LAPACK_DIR    = $(BISHENG_LIB_PATH)/kml-bisheng/2.4.0
-LAPACK_INC    = $(LAPACK_DIR)/include
-LAPACK_LIB    = $(LAPACK_DIR)/lib
+LAPACK_DIR  = ${JARVIS_UTILS}/hpckit/${HPCKIT_VERSION}/HPCKit/latest/kml/bisheng
+LAPACK_INC  = $(LAPACK_DIR)/include
+LAPACK_LIB  = $(LAPACK_DIR)/lib/${kp}
  
-SCALAPACK_DIR    = $(BISHENG_LIB_PATH)/kml-bisheng/2.4.0
+SCALAPACK_DIR    = ${JARVIS_UTILS}/hpckit/${HPCKIT_VERSION}/HPCKit/latest/kml/bisheng
 SCALAPACK_INC    = $(SCALAPACK_DIR)/include
-SCALAPACK_LIB    = $(SCALAPACK_DIR)/lib
+SCALAPACK_LIB    = $(SCALAPACK_DIR)/lib/${kp}
  
-MATHLIB_DIR = $(BISHENG_LIB_PATH)/kml-bisheng/2.4.0
+MATHLIB_DIR = ${JARVIS_UTILS}/hpckit/${HPCKIT_VERSION}/HPCKit/latest/kml/bisheng
 MATHLIB_INC = $(MATHLIB_DIR)/include
-MATHLIB_LIB = $(MATHLIB_DIR)/lib
+MATHLIB_LIB = $(MATHLIB_DIR)/lib/noarch
     
 
 include       $(PLUMED_LIB)/plumed/src/lib/Plumed.inc.shared
@@ -82,9 +82,10 @@ LIBS       += -L$(ELPA_LIB) -lelpa_openmp
 LIBS       += -L$(LIBXC_LIB) -lxcf03 -lxc
 LIBS       += -L$(LIBINT_LIB) -lint2
 LIBS       += -L$(SPGLIB_LIB) -lsymspg
-LIBS       += -L$(FFTW_LIB) -lfftw3 -lfftw3_omp
+LIBS       += $(FFTW_LIB)/libfftw3.a -L$(FFTW_LIB) -lfftw3_omp
 LIBS       += -L$(BLAS_LIB) -lkblas
 LIBS       += -L$(SCALAPACK_LIB) -lkscalapack_full -lkscalapack
 LIBS       += -L$(LAPACK_LIB) -lklapack_full -lklapack
 LIBS       += -L$(MATHLIB_LIB) -lkm
-#LIBS       += -L$(LIBXSMM_LIB) -lxsmmf -lxsmmext -lxsmm -ldl
\ No newline at end of file
+#LIBS       += -L$(LIBXSMM_LIB) -lxsmmf -lxsmmext -lxsmm -ldl
+
diff --git a/templates/CP2K/7.1/bisheng/data.CP2K.arm-opt.cpu.config b/templates/CP2K/7.1/bisheng/data.CP2K.arm-opt.cpu.config
index ca613823..32a28f93 100644
--- a/templates/CP2K/7.1/bisheng/data.CP2K.arm-opt.cpu.config
+++ b/templates/CP2K/7.1/bisheng/data.CP2K.arm-opt.cpu.config
@@ -20,7 +20,7 @@ module load bisheng/compiler${BISHENG_VERSION}/bishengmodule  bisheng/hmpi${HMPI
 ./jarvis -install boost/1.72.0/clang clang
 export CC=clang CXX=clang++ FC=flang
 ./jarvis -install openblas/0.3.18 bisheng
-yum install -y cmake
+yum install -y cmake libatomic
 ./jarvis -install spglib/1.16.0 clang
 ./jarvis -install libxc/4.3.4 clang
 ./jarvis -install gsl/2.6 clang
@@ -31,18 +31,15 @@ module load openblas/0.3.18
 module load gsl/2.6
 module load gmp/6.2.0
 module load boost-clang/1.72.0
-module load lapack-bisheng/3.8.0
 module load spglib/1.16.0
 module load libxc/4.3.4
 module load libvori/21.04.12
 
 export CC=mpicc CXX=mpicxx FC=mpifort
 export boost_path=$BOOST_CLANG_PATH
-./jarvis -install libint/2.6.0 clang+mpi
 ./jarvis -install fftw/3.3.8 clang+mpi
-./jarvis -install scalapack/2.1.0/clang bisheng+mpi
+./jarvis -install libint/2.6.0 clang+mpi
 ./jarvis -install plumed/2.6.2 clang+mpi
-module load scalapack-clang/2.1.0 openblas/0.3.18
 ./jarvis -install elpa/2019.05.001 clang+mpi
 module load elpa/2019.05.001
 module load fftw/3.3.8 libint/2.6.0 plumed/2.6.2 libxc/4.3.4 spglib/1.16.0
@@ -64,34 +61,33 @@ module load gsl/2.6
 module load gmp/6.2.0
 export CC=mpicc CXX=mpicxx FC=mpifort
 module load boost-clang/1.72.0
-module load lapack-bisheng/3.8.0
 export boost_path=$BOOST_CLANG_PATH
-module load scalapack-clang/2.1.0 openblas/0.3.18
 module load elpa/2019.05.001
 module load fftw/3.3.8 libint/2.6.0 plumed/2.6.2 libvori/21.04.12 libxc/4.3.4 spglib/1.16.0
+module load bisheng/kml25.1.0/kblas/multi bisheng/kml25.1.0/kml
 
 [APP]
 app_name = CP2K
 build_dir = ${JARVIS_ROOT}/cp2k-7.1.0
-binary_dir = ${JARVIS_ROOT}/cp2k-7.1.0/Linux-arm-clang-opt/cp2k.psmp
+binary_dir = ${JARVIS_ROOT}/cp2k-7.1.0/exe/Linux-arm-clang-opt
 case_dir = ${JARVIS_ROOT}/cp2k-7.1.0/benchmarks/QS/
 
 [BUILD]
+set -x
+set -e
 cd ./arch
-cp ${JARVIS_ROOT}/templates/CP2K/7.1/bisheng/Linux-arm-clang.psmp ./
-sed -i "10s%path1%${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}%g" Linux-arm-clang.psmp
-sed -i "11s%path2%${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}%g" Linux-arm-clang.psmp
-sed -i '60s|$(MPI_PATH).*|$(MPI_PATH)/scalapack-clang/2.1.0/lib/libscalapack.a|' Linux-arm-clang.psmp
+cp ${JARVIS_ROOT}/templates/CP2K/7.1/bisheng/Linux-arm-clang-opt.psmp ./
+sed -i "8s%path1%${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}%g" 	Linux-arm-clang-opt.psmp
+sed -i "9s%path2%${JARVIS_ROOT}/software/libs/bisheng${BISHENG_VERSION}%g" 			Linux-arm-clang-opt.psmp
 cd ..
-
-make -j 16 ARCH=Linux-arm-clang VERSION=psmp || true
+make -j 16 ARCH=Linux-arm-clang-opt VERSION=psmp || true
 
 
 [CLEAN]
-make -j 16 ARCH=Linux-arm-clang VERSION=psmp clean
+make -j 16 ARCH=Linux-arm-clang-opt VERSION=psmp clean
 
 
 [RUN]
-run = numactl -C 0-63  mpirun --allow-run-as-root -np 64 -x OMP_NUM_THREADS=1
+run = numactl -C 0-$(($(nproc)-1))  mpirun --allow-run-as-root -np $(nproc) -x OMP_NUM_THREADS=1
 binary = cp2k.psmp H2O-256.inp
 nodes = 1
-- 
Gitee


From 74ef5e38e8aaa09ad59e02afca7c4308632d8bc7 Mon Sep 17 00:00:00 2001
From: yyyaaa111 <2393110978@qq.com>
Date: Mon, 15 Dec 2025 14:42:36 +0800
Subject: [PATCH 3/3] update wrf-4.2

---
 .../wrf/4.2/bisheng/data.wrf.arm.cpu.config   | 24 ++++++++++---------
 1 file changed, 13 insertions(+), 11 deletions(-)

diff --git a/templates/wrf/4.2/bisheng/data.wrf.arm.cpu.config b/templates/wrf/4.2/bisheng/data.wrf.arm.cpu.config
index 5e787fb4..16c65fef 100644
--- a/templates/wrf/4.2/bisheng/data.wrf.arm.cpu.config
+++ b/templates/wrf/4.2/bisheng/data.wrf.arm.cpu.config
@@ -10,16 +10,16 @@ set -e
 set -x
 # basic system components
 module purge
-./jarvis -install hpckit/${HPCKIT_VERSION} com
-module use ./software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles
-module load bisheng/compiler4.2.0/bishengmodule
-module load bisheng/hmpi25.0.0/hmpi
+./jarvis -install hpckit/${HPCKIT_VERSION} any
+module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles
+module load bisheng/compiler${BISHENG_VERSION}/bishengmodule
+module load bisheng/hmpi${HMPI_VERSION}/release
 export CC="clang -Wno-implicit-function-declaration -Wno-incompatible-function-pointer-types" CXX=clang++ FC=flang
 ./jarvis -install jasper/1.900.2 clang
-module use ./software/moduledeps/bisheng4.2.0
+module use ./software/moduledeps/bisheng${BISHENG_VERSION}
 module load jasper/1.900.2
 export CC=mpicc CXX=mpicxx FC=mpifort
-module use ./software/moduledeps/bisheng4.2.0-hmpi25.0.0
+module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}
 ./jarvis -install hdf5/1.12.0/clang clang+mpi
 module load hdf5-clang/1.12.0
 ./jarvis -install pnetcdf/1.12.1 clang+mpi
@@ -34,13 +34,13 @@ fi
 #!/bin/bash
 module purge
 module use ${JARVIS_ROOT}//software/compiler/hpckit/${HPCKIT_VERSION}/HPCKit/latest/modulefiles
-module load bisheng/compiler4.2.0/bishengmodule
-module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.2.0
-module use ${JARVIS_ROOT}/software/moduledeps/bisheng4.2.0-hmpi25.0.0
+module load bisheng/compiler${BISHENG_VERSION}/bishengmodule
+module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}
+module use ${JARVIS_ROOT}/software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}
 module load jasper/1.900.2
-module load bisheng/hmpi25.0.0/hmpi
+module load bisheng/hmpi${HMPI_VERSION}/release
 module load hdf5-clang/1.12.0 pnetcdf/1.12.1 netcdf-clang/4.7.4
-module load bisheng/kml25.0.0/kml
+module load bisheng/kml${HPCKIT_VERSION}/kml
 export WRFIO_NCD_LARGE_FILE_SUPPORT=1
 export NETCDF=$NETCDF_CLANG_PATH
 export HDF5=$HDF5_CLANG_PATH
@@ -65,6 +65,8 @@ binary_dir =
 case_dir = ${JARVIS_ROOT}/conus12km/
 
 [BUILD]
+set -x
+set -e
 cat << \EOF > ./arch/configure.defaults
 ###########################################################
 #ARCH   Linux   aarch64,clang HYPERMPI#serial smpar dmpar dm+sm
-- 
Gitee