From 2e412586c20caa4cc8687680cc55ac4417c875e0 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, 5 Aug 2025 16:34:50 +0800
Subject: [PATCH 1/2] honpas

---
 .../honpas/data.honpas.arm.cpu.kgcc.config    | 66 +++++++++++++++++++
 1 file changed, 66 insertions(+)
 create mode 100644 templates/honpas/data.honpas.arm.cpu.kgcc.config

diff --git a/templates/honpas/data.honpas.arm.cpu.kgcc.config b/templates/honpas/data.honpas.arm.cpu.kgcc.config
new file mode 100644
index 0000000..b6ec789
--- /dev/null
+++ b/templates/honpas/data.honpas.arm.cpu.kgcc.config
@@ -0,0 +1,66 @@
+[SERVER]
+11.11.11.11
+
+[DOWNLOAD]
+
+[DEPENDENCY]
+set -e
+set -x
+yum install -y cmake
+module purge
+./jarvis -install hpckit/2025.3.30 any
+module use software/utils/hpckit/2025.3.30/HPCKit/25.0.0/modulefiles
+module load gcc/compiler12.3.1/gccmodule gcc/hmpi25.0.0/hmpi gcc/kml25.0.0/kblas/multi gcc/kml25.0.0/kml
+export CC=`which gcc`
+export CXX=`which g++`
+export FC=`which gfortran`
+rm -rf HONPAS
+git clone https://github.com/xmqin/HONPAS.git
+
+[ENV]
+module purge
+module use software/utils/hpckit/2025.3.30/HPCKit/25.0.0/modulefiles
+module load gcc/compiler12.3.1/gccmodule gcc/hmpi25.0.0/hmpi gcc/kml25.0.0/kblas/multi gcc/kml25.0.0/kml
+export CC=`which gcc`
+export CXX=`which g++`
+export FC=`which gfortran`
+
+[APP]
+app_name = QE
+build_dir = ${JARVIS_ROOT}/HONPAS/Obj/
+binary_dir =
+case_dir = ${JARVIS_ROOT}/HONPAS/HONPAS_Examples/Tests/Sibulk/64
+
+[BUILD]
+
+sh ../Src/obj_setup.sh
+cp ../libint-1.1.5.tar.gz .
+tar -xvzf libint-1.1.5.tar.gz
+mkdir libint_install
+cd libint-1.1.5
+./configure --prefix="$PWD/../libint_install"  CC=gcc CXX=g++ F77=gfortran
+make -j8
+make install
+cd ..
+rm -rf arch.make
+ln -s ../ARCH-HONPAS/honpas-gnu-openmpi.make arch.make
+sed -i '18s/.*/SIESTA_ARCH = aarch64/' arch.make
+sed -i '27s/.*/FFLAGS = -O2 -fPIC  -ftree-vectorize -fallow-argument-mismatch/' arch.make
+sed -i "42s|.*|BLAS_LIBS = -L${JARVIS_ROOT}/software/utils/hpckit/2025.3.30/HPCKit/25.0.0/kml/gcc/lib/neon/kblas/multi -lkblas|" arch.make
+sed -i "43s|.*|LAPACK_LIBS = -L${JARVIS_ROOT}/software/utils/hpckit/2025.3.30/HPCKit/25.0.0/kml/gcc/lib/neon -lklapack_full|" arch.make
+sed -i "44s|.*|SCALAPACK_LIBS= -L${JARVIS_ROOT}/software/utils/hpckit/2025.3.30/HPCKit/25.0.0/kml/gcc/lib/neon -lkscalapack_full|" arch.make
+make -j8
+
+[CLEAN]
+make clean
+
+[RUN]
+run = mpirun -allow-run-as-root -n 32 ${JARVIS_ROOT}/HONPAS/Obj/honpas <Sibulk.fdf> Sibulk_new.out
+binary =
+nodes = 1
+
+[PERF]
+perf=
+nsys=
+ncu=--target-processes all
+
-- 
Gitee


From 6be86aced56d8a10503a66430fcbd855cf7b94aa 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, 5 Aug 2025 16:36:25 +0800
Subject: [PATCH 2/2] honpas

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

diff --git a/templates/honpas/data.honpas.arm.cpu.kgcc.config b/templates/honpas/data.honpas.arm.cpu.kgcc.config
index b6ec789..c79b437 100644
--- a/templates/honpas/data.honpas.arm.cpu.kgcc.config
+++ b/templates/honpas/data.honpas.arm.cpu.kgcc.config
@@ -26,7 +26,7 @@ export CXX=`which g++`
 export FC=`which gfortran`
 
 [APP]
-app_name = QE
+app_name = HONPAS
 build_dir = ${JARVIS_ROOT}/HONPAS/Obj/
 binary_dir =
 case_dir = ${JARVIS_ROOT}/HONPAS/HONPAS_Examples/Tests/Sibulk/64
-- 
Gitee