From e4f29e50d1206f73a9bb05a1ce36f36547515481 Mon Sep 17 00:00:00 2001
From: Ling <2277486684@qq.com>
Date: Wed, 10 Dec 2025 19:37:07 +0800
Subject: [PATCH 1/2] =?UTF-8?q?=E4=BF=AE=E6=94=B9wannier90=E4=B8=ADblas?=
 =?UTF-8?q?=E5=92=8Clapack=E5=8A=A0=E8=BD=BD?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

---
 .../3.1.0/data.wannier90.arm.cpu.bisheng.config    | 14 ++++++--------
 .../3.1.0/data.wannier90.arm.cpu.kgcc.config       |  8 +++++---
 2 files changed, 11 insertions(+), 11 deletions(-)

diff --git a/templates/wannier90/3.1.0/data.wannier90.arm.cpu.bisheng.config b/templates/wannier90/3.1.0/data.wannier90.arm.cpu.bisheng.config
index 87a86b54..99998334 100644
--- a/templates/wannier90/3.1.0/data.wannier90.arm.cpu.bisheng.config
+++ b/templates/wannier90/3.1.0/data.wannier90.arm.cpu.bisheng.config
@@ -14,11 +14,9 @@ source ${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VE
 export CC=`which clang`
 export CXX=`which clang++`
 export FC=`which flang`
-./jarvis -install openblas/0.3.18 bisheng
-module use  software/moduledeps/bisheng${BISHENG_VERSION}
-module load openblas/0.3.18
-./jarvis -install lapack/3.8.0/bisheng bisheng
-module load lapack-bisheng/3.8.0
+./jarvis -install blas/3.10.0 bisheng
+./jarvis -install lapack/3.10.1 bisheng
+
 
 
 tar -xvf ${JARVIS_DOWNLOAD}/wannier90-v3.1.0.tar.gz -C  ${JARVIS_TMP}/
@@ -27,8 +25,8 @@ tar -xvf ${JARVIS_DOWNLOAD}/wannier90-v3.1.0.tar.gz -C  ${JARVIS_TMP}/
 module purge
 source ${JARVIS_ROOT}/software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/setvars.sh  --force --use-bisheng
 module use  software/moduledeps/bisheng${BISHENG_VERSION}
-module load openblas/0.3.18
-module load lapack-bisheng/3.8.0
+module load blas/3.10.0
+module load lapack/3.10.1
 
 [APP]
 app_name = wannier90
@@ -44,7 +42,7 @@ sed -i '8c MPIF90 = mpif90'  make.inc
 sed -i '7c COMMS= mpi' make.inc
 sed -i '14c FCOPTS = -fstrict-aliasing  -fno-omit-frame-pointer -fno-realloc-lhs  -ffree-form -Wall -Wno-uninitialized  -Wno-unused -O1 -g' make.inc
 sed -i '15c LDOPTS = -fstrict-aliasing  -fno-omit-frame-pointer -fno-realloc-lhs  -ffree-form -Wall -Wno-uninitialized  -Wno-unused -O1 -g' make.inc
-#sed -i '16c FCOPTS += -fallow-argument-mismatch' make.inc
+sed -i "37c LIBS = -L${BLAS_PATH}/lib -L${LAPACK_PATH}/lib -llapack -lblas " make.inc
 make
 make install
 mkdir -p ${JARVIS_ROOT}/software/apps/bisheng${BISHENG_VERSION}-hmpi${HMPI_VERSION}/
diff --git a/templates/wannier90/3.1.0/data.wannier90.arm.cpu.kgcc.config b/templates/wannier90/3.1.0/data.wannier90.arm.cpu.kgcc.config
index 5ccfaa1c..652b4b20 100644
--- a/templates/wannier90/3.1.0/data.wannier90.arm.cpu.kgcc.config
+++ b/templates/wannier90/3.1.0/data.wannier90.arm.cpu.kgcc.config
@@ -31,8 +31,8 @@ module load lapack/3.10.1
 [APP]
 app_name = wannier90.x
 build_dir = ${JARVIS_TMP}/wannier90-3.1.0
-binary_dir = ${JARVIS_ROOT}/software/apps/wannier90-3.1.0
-case_dir = ${JARVIS_ROOT}/software/apps/wannier90-3.1.0
+binary_dir = ${JARVIS_ROOT}/software/apps/gcc12.3.1-hmpi${HMPI_VERSION}/wannier90-3.1.0
+case_dir = ${JARVIS_ROOT}/software/apps/gcc12.3.1-hmpi${HMPI_VERSION}/wannier90-3.1.0
 
 [BUILD]
 
@@ -42,9 +42,11 @@ sed -i '8c MPIF90 = mpif90'  make.inc
 sed -i '7c COMMS= mpi' make.inc
 sed -i '14c FCOPTS = -fstrict-aliasing  -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace -fallow-argument-mismatch' make.inc
 sed -i '15c LDOPTS = -fstrict-aliasing  -fno-omit-frame-pointer -fno-realloc-lhs -fcheck=bounds,do,recursion,pointer -ffree-form -Wall -Waliasing -Wsurprising -Wline-truncation -Wno-tabs -Wno-uninitialized -Wno-unused-dummy-argument -Wno-unused -Wno-character-truncation -O1 -g -fbacktrace' make.inc
+sed -i "37c LIBS = -L${BLAS_PATH}/lib -L${LAPACK_PATH}/lib -llapack -lblas " make.inc
 make
 make install
-cp -r ${JARVIS_TMP}/wannier90-3.1.0 ${JARVIS_ROOT}/software/apps/
+mkdir -p ${JARVIS_ROOT}/software/apps/gcc12.3.1-hmpi${HMPI_VERSION}
+cp -r ${JARVIS_TMP}/wannier90-3.1.0 ${JARVIS_ROOT}/software/apps/gcc12.3.1-hmpi${HMPI_VERSION}
 [RUN]
 run = export OMPI_ALLOW_RUN_AS_ROOT=1 && export OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1 && make tests
 binary = 
-- 
Gitee


From ed302d4c63dad457622c9265fad4417bf6bb7140 Mon Sep 17 00:00:00 2001
From: Ling <2277486684@qq.com>
Date: Wed, 10 Dec 2025 19:38:05 +0800
Subject: [PATCH 2/2] =?UTF-8?q?sundials=E6=B7=BB=E5=8A=A0yum=E5=AE=89?=
 =?UTF-8?q?=E8=A3=85?=
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit

---
 templates/sundials/7.3.0/sundials.arm.hpckit.bisheng.hmpi.config | 1 +
 1 file changed, 1 insertion(+)

diff --git a/templates/sundials/7.3.0/sundials.arm.hpckit.bisheng.hmpi.config b/templates/sundials/7.3.0/sundials.arm.hpckit.bisheng.hmpi.config
index 3e43440e..2d3dbdd6 100644
--- a/templates/sundials/7.3.0/sundials.arm.hpckit.bisheng.hmpi.config
+++ b/templates/sundials/7.3.0/sundials.arm.hpckit.bisheng.hmpi.config
@@ -5,6 +5,7 @@
 sundials/7.3.0 ${JARVIS_PROXY}/LLNL/sundials/releases/download/v7.3.0/sundials-7.3.0.tar.gz
 
 [DEPENDENCY]
+yum -y install libatomic
 module purge
 ./jarvis -install hpckit/${HPCKIT_VERSION} any
 
-- 
Gitee