From 6d3671e46433396a1339cf4252915c9f0f98ce7a Mon Sep 17 00:00:00 2001
From: yyyaaa111 <2393110978@qq.com>
Date: Mon, 8 Dec 2025 07:09:33 +0000
Subject: [PATCH] =?UTF-8?q?update=20templates/lammps/2021.2.10/data.lammps?=
 =?UTF-8?q?.arm.cpu.config.=20=E6=A0=B9=E6=8D=AE=E6=9C=80=E6=96=B0HPCKIT?=
 =?UTF-8?q?=E8=A7=84=E5=88=92=E8=BF=9B=E8=A1=8C=E6=9B=B4=E6=96=B0?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

Signed-off-by: yyyaaa111 <2393110978@qq.com>
---
 .../2021.2.10/data.lammps.arm.cpu.config      | 44 +++++++++----------
 1 file changed, 20 insertions(+), 24 deletions(-)

diff --git a/templates/lammps/2021.2.10/data.lammps.arm.cpu.config b/templates/lammps/2021.2.10/data.lammps.arm.cpu.config
index dc297b64..7bc6a48f 100644
--- a/templates/lammps/2021.2.10/data.lammps.arm.cpu.config
+++ b/templates/lammps/2021.2.10/data.lammps.arm.cpu.config
@@ -5,51 +5,47 @@
 lammps/2021.1.10 https://download.lammps.org/tars/lammps-10Feb2021.tar.gz
 
 [DEPENDENCY]
+set -x
+set -e
 module purge
-./jarvis -install bisheng/2.1.0 com
-module use ./software/modulefiles
-module load bisheng/2.1.0
-export CC=clang CXX=clang++ FC=flang
-./jarvis -install hmpi/1.1.1 clang
-module load hmpi/1.1.1
-./jarvis -install fftw/3.3.8 clang+mpi
+./jarvis -install hpckit/${HPCKIT_VERSION} any
+module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles
+module use ./software/moduledeps/bisheng${BISHENG_VERSION}
+module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}
+module load bisheng/compiler${BISHENG_VERSION}/bishengmodule  bisheng/hmpi${HMPI_VERSION}/release bisheng/kml${HPCKIT_VERSION}/kml
 
 [ENV]
-module use ./software/modulefiles
 module purge
-module load bisheng/2.1.0
-module load hmpi/1.1.1
-export CC=clang CXX=clang++ FC=flang
-module load fftw/3.3.8
-export PATH=${JARVIS_ROOT}/software/apps/bisheng/lammps/2021.2.10:$PATH
+module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles
+module use ./software/moduledeps/bisheng${BISHENG_VERSION}
+module use ./software/moduledeps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}
+module load bisheng/compiler${BISHENG_VERSION}/bishengmodule  bisheng/hmpi${HMPI_VERSION}/release bisheng/kml${HPCKIT_VERSION}/kml
+export PATH=${JARVIS_ROOT}/lammps-10Feb21/src:$PATH
 
 [APP]
 app_name = lammps
 build_dir = ${JARVIS_ROOT}
-binary_dir = ./software/apps/bisheng/lammps/2021.2.10
+binary_dir = ${JARVIS_ROOT}/lammps-10Feb21/src/
 case_dir =
 
 [BUILD]
 cd ${JARVIS_ROOT}
 tar -xvf ${JARVIS_DOWNLOAD}/lammps-10Feb2021.tar.gz
 cd lammps-10Feb21/src
-sed -i '10c\CCFLAGS = -g -O3 -I${JARVIS_ROOT}/software/compiler/bisheng/2.1.0/include/c++/v1 -L${JARVIS_ROOT}/software/compiler/bisheng/2.1.0/lib -std=c++11 -stdlib=libc++ -lc++ -lc++abi'   MAKE/Makefile.mpi
-sed -i '15c\LINKFLAGS =  -g -O -L${JARVIS_ROOT}/software/compiler/bisheng/2.1.0/lib -std=c++11 -stdlib=libc++ -lc++ -lc++abi'   MAKE/Makefile.mpi
-sed -i '53c\FFT_INC = -DFFT_FFTW -I${JARVIS_ROOT}/software/libs/bisheng2.1.0/fftw/3.3.8/include ' MAKE/Makefile.mpi
-sed -i '54c\FFT_PATH = -L${JARVIS_ROOT}/software/libs/bisheng2.1.0/fftw/3.3.8/lib'  MAKE/Makefile.mpi
-sed -i '55c\FFT_LIB = -lfftw3' MAKE/Makefile.mpi
+sed -i '10c\CCFLAGS = -g -O3 -I${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/compiler/bisheng/include/c++/v1 -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/compiler/bisheng/lib -std=c++11 -stdlib=libc++ -lc++ -lc++abi'   MAKE/Makefile.mpi
+sed -i '15c\LINKFLAGS =  -g -O -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/compiler/bisheng/lib -std=c++11 -stdlib=libc++ -lc++ -lc++abi'   MAKE/Makefile.mpi
+sed -i '53c\FFT_INC = -DFFT_FFTW -I${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/kml/bisheng/include ' MAKE/Makefile.mpi
+sed -i '54c\FFT_PATH = -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/kml/bisheng/lib/noarch -L${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/kml/bisheng/lib/${kp}'  MAKE/Makefile.mpi
+sed -i '55c\FFT_LIB = -lfftw3 -lkfft' MAKE/Makefile.mpi
 make yes-KSPACE
 make yes-MPIIO
 make yes-MOLECULE
 make yes-MANYBODY
 make yes-USER-REAXC
 make mpi -j
-cp ${JARVIS_ROOT}/lammps-10Feb21/src/lmp_mpi ${JARVIS_ROOT}/software/apps/bisheng/lammps/2021.2.10/lmp_mpi
-ls ${JARVIS_ROOT}/software/apps/bisheng/lammps/2021.2.10/lmp_mpi
-
+ls ${JARVIS_ROOT}/lammps-10Feb21/src/lmp_mpi
 
 [RUN]
 run =lmp_mpi -h
 binary =
-nodes = 1
-
+nodes = 1
\ No newline at end of file
-- 
Gitee