From 353813bff41d28b92c1a7ac6cb6296b9c601c7bf Mon Sep 17 00:00:00 2001 From: limingyang <1016071721@qq.com> Date: Tue, 11 Mar 2025 16:34:30 +0800 Subject: [PATCH 1/2] Update lapack/scalapack and cp2k. --- package/lapack/3.10.1/bisheng/install.sh | 5 +++++ package/scalapack/2.1.0/clang/install.sh | 1 + templates/CP2K/7.1/bisheng/data.CP2K.arm-opt.cpu.config | 6 +++--- 3 files changed, 9 insertions(+), 3 deletions(-) diff --git a/package/lapack/3.10.1/bisheng/install.sh b/package/lapack/3.10.1/bisheng/install.sh index d536f54..35458ee 100755 --- a/package/lapack/3.10.1/bisheng/install.sh +++ b/package/lapack/3.10.1/bisheng/install.sh @@ -21,3 +21,8 @@ cmake ../ -DCMAKE_INSTALL_PREFIX=$1 -DBUILD_SHARED_LIBS=ON make -j $(nproc) make install ln -s $1/lib64 $1/lib + +rm * -rf +cmake ../ -DCMAKE_INSTALL_PREFIX=$1 -DBUILD_SHARED_LIBS=OFF +make -j $(nproc) +make install diff --git a/package/scalapack/2.1.0/clang/install.sh b/package/scalapack/2.1.0/clang/install.sh index f135520..4e2ea4f 100755 --- a/package/scalapack/2.1.0/clang/install.sh +++ b/package/scalapack/2.1.0/clang/install.sh @@ -11,6 +11,7 @@ if ! [ -z ${LAPACK_BISHENG_PATH} ]; then else echo "Need to set environment var LAPACK_BISHENG_PATH" && exit 1; fi +sed -i "33s/$/ -Wno-implicit-function-declaration -Wno-implicit-int/g" ./SLmake.inc sed -i "58s/-lblas//g" ./SLmake.inc sed -i "59s/-llapack//g" ./SLmake.inc sed -i "58s%$%${LAPACK_BISHENG_PATH}/lib/librefblas.a%g" ./SLmake.inc 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 d96d2e8..28c78e0 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 @@ -18,7 +18,7 @@ export CC=clang CXX=clang++ FC=flang ./jarvis -install hmpi/2.4.2 clang ./jarvis -install kml/2.4.0/bisheng clang ./jarvis -install gmp/6.2.0 clang -./jarvis -install boost/1.72.0 clang +./jarvis -install boost/1.72.0/clang clang ./jarvis -install spglib/1.16.0 clang ./jarvis -install libxc/4.3.4 clang ./jarvis -install gsl/2.6 clang @@ -28,7 +28,7 @@ module load kml-bisheng/2.4.0 module load gsl/2.6 module load hmpi/2.4.2 module load gmp/6.2.0 -module load boost/1.72.0 +module load boost-clang/1.72.0 export CC=mpicc CXX=mpicxx FC=mpifort ./jarvis -install libint/2.6.0 clang+mpi @@ -74,4 +74,4 @@ make -j 128 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 binary = cp2k.psmp H2O-256.inp -nodes = 1 \ No newline at end of file +nodes = 1 -- Gitee From db370c6f4ae2fe3f93cf39b8f914e2d751aaacd2 Mon Sep 17 00:00:00 2001 From: limingyang Date: Tue, 11 Mar 2025 08:42:18 +0000 Subject: [PATCH 2/2] update package/lapack/3.10.1/bisheng/install.sh. Signed-off-by: limingyang --- package/lapack/3.10.1/bisheng/install.sh | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/package/lapack/3.10.1/bisheng/install.sh b/package/lapack/3.10.1/bisheng/install.sh index 35458ee..b6577f9 100755 --- a/package/lapack/3.10.1/bisheng/install.sh +++ b/package/lapack/3.10.1/bisheng/install.sh @@ -22,7 +22,6 @@ make -j $(nproc) make install ln -s $1/lib64 $1/lib -rm * -rf -cmake ../ -DCMAKE_INSTALL_PREFIX=$1 -DBUILD_SHARED_LIBS=OFF -make -j $(nproc) -make install +cd .. +sed -i "s|\$(TOPSRCDIR)|$1/lib64|g" make.inc +make -j $(nproc) blaslib \ No newline at end of file -- Gitee