From ffe31a315591bd30a4e19f3d1f0601e02aab58b5 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?=
 <12963281+gao-wenyao123@user.noreply.gitee.com>
Date: Tue, 8 Jul 2025 14:34:57 +0800
Subject: [PATCH 1/3] mopac

---
 .../data.container-mopac-sve.arm.cpu.config   | 21 ++++++++++++-------
 .../data.container-mopac.arm.cpu.config       | 19 +++++++++++------
 2 files changed, 27 insertions(+), 13 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 be1d945c..cff7d204 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
@@ -6,24 +6,31 @@ 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 python -y
+./jarvis -install hpckit/2024.12.30 any
+module use software/utils/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles
+module purge
+module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi
+export CC=mpicc CXX=mpicxx FC=mpifort
 ./jarvis -install package/lapack/3.8.0/bisheng/ bisheng
-module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
+module use ./software/moduledeps/bisheng4.1.0
 module add lapack-bisheng/3.8.0
 export LAPACK_PATH=$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
+./jarvis -install package/openblas/0.3.14 bisheng+mpi
+module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3
 module add openblas/0.3.14
 
 [ENV]
-export JARVIS_ROOT=/hpcrunner
-module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
+module use software/utils/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles
+module purge
+module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi
+export CC=mpicc CXX=mpicxx FC=mpifort
+module use ./software/moduledeps/bisheng4.1.0
 module add lapack-bisheng/3.8.0
 export LAPACK_PATH=$LAPACK_BISHENG_PATH
 export CFLAGS="-Wno-implicit-function-declaration"
-module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
+module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3
 module add openblas/0.3.14
 export PATH=$JARVIS_ROOT/software/mopac/22.0.4/bin:$PATH
 export LD_LIBRARY_PATH=$JARVIS_ROOT/software/mopac/22.0.4/lib64:$LD_LIBRARY_PATH
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 60d260e6..5f7afaef 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
@@ -6,24 +6,31 @@ 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 python -y
+./jarvis -install hpckit/2024.12.30 any
+module use software/utils/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles
+module purge
+module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi
+export CC=mpicc CXX=mpicxx FC=mpifort
 ./jarvis -install package/lapack/3.8.0/bisheng/ bisheng
-module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
+module use ./software/moduledeps/bisheng4.1.0 
 module add lapack-bisheng/3.8.0
 export LAPACK_PATH=$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 use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3
 module add openblas/0.3.14
 
 [ENV]
-export JARVIS_ROOT=/hpcrunner
-module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0
+module use software/utils/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles
+module purge
+module add bisheng/compiler4.1.0/bishengmodule bisheng/hmpi2.4.3/hmpi
+export CC=mpicc CXX=mpicxx FC=mpifort
+module use ./software/moduledeps/bisheng4.1.0
 module add lapack-bisheng/3.8.0
 export LAPACK_PATH=$LAPACK_BISHENG_PATH
 export CFLAGS="-Wno-implicit-function-declaration"
-module use $JARVIS_ROOT/software/moduledeps/bisheng4.0.0-hmpi2.4.1
+module use ./software/moduledeps/bisheng4.1.0-hmpi2.4.3
 module add openblas/0.3.14
 export PATH=$JARVIS_ROOT/software/mopac/22.0.4/bin:$PATH
 export LD_LIBRARY_PATH=$JARVIS_ROOT/software/mopac/22.0.4/lib64:$LD_LIBRARY_PATH
-- 
Gitee


From 9c283c4d1251f1e4e2de9c73905801cf7afbaa3b Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?=
 <12963281+gao-wenyao123@user.noreply.gitee.com>
Date: Tue, 8 Jul 2025 14:43:11 +0800
Subject: [PATCH 2/3] mopac

---
 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 cff7d204..3a59696f 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
@@ -6,7 +6,7 @@ mopac/22.0.4 https://github.com/openmopac/mopac/archive/refs/tags/v22.0.4.tar.gz
 
 
 [DEPENDENCY]
-yum install python -y
+yum install python cmake -y
 ./jarvis -install hpckit/2024.12.30 any
 module use software/utils/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles
 module purge
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 5f7afaef..f4478a75 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
@@ -6,7 +6,7 @@ mopac/22.0.4 https://github.com/openmopac/mopac/archive/refs/tags/v22.0.4.tar.gz
 
 
 [DEPENDENCY]
-yum install python -y
+yum install python cmake -y
 ./jarvis -install hpckit/2024.12.30 any
 module use software/utils/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles
 module purge
-- 
Gitee


From ce29c8a504b39e949b97a0121aec068a00950331 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?=
 <12963281+gao-wenyao123@user.noreply.gitee.com>
Date: Tue, 8 Jul 2025 15:12:59 +0800
Subject: [PATCH 3/3] mopac

---
 templates/mopac/22.0.4/data.mopac-common.arm.cpu.config | 1 +
 1 file changed, 1 insertion(+)

diff --git a/templates/mopac/22.0.4/data.mopac-common.arm.cpu.config b/templates/mopac/22.0.4/data.mopac-common.arm.cpu.config
index 0fbf77e7..c686d31e 100644
--- a/templates/mopac/22.0.4/data.mopac-common.arm.cpu.config
+++ b/templates/mopac/22.0.4/data.mopac-common.arm.cpu.config
@@ -6,6 +6,7 @@ mopac/22.0.4 https://github.com/openmopac/mopac/archive/refs/tags/v22.0.4.tar.gz
 
 
 [DEPENDENCY]
+yum install -y cmake
 ./jarvis -install package/hpckit/2024.12.30/ any
 module use software/utils/hpckit/2024.12.30/HPCKit/24.12.30/modulefiles
 module purge
-- 
Gitee