From 1a11f364a3f1199f6eb6e30ee93cb0ac7195ead4 Mon Sep 17 00:00:00 2001 From: chenzhiqiang Date: Mon, 11 Apr 2022 16:03:01 +0800 Subject: [PATCH] add-fftw-gsl-lapack-libxc-scalapack --- package/gsl/2.6/install.sh | 2 +- package/lapack/3.8.0/bisheng/install.sh | 1 + package/libxc/5.1.4/install.sh | 2 +- .../scalapack/2.1.0/lapack-bisheng/install.sh | 20 ++++++++++ templates/fftw/3.3.8/data.fftw.arm.cpu.config | 39 ++++++++++++++++++ templates/gsl/2.6/data.gsl.arm.cpu.config | 36 +++++++++++++++++ .../lapack/3.8.0/data.lapack.arm.cpu.config | 32 +++++++++++++++ .../libxc/5.1.4/data.libxc.arm.cpu.config | 33 +++++++++++++++ .../2.1.0/data.scalapack.arm.cpu.config | 40 +++++++++++++++++++ 9 files changed, 203 insertions(+), 2 deletions(-) create mode 100644 package/scalapack/2.1.0/lapack-bisheng/install.sh create mode 100644 templates/fftw/3.3.8/data.fftw.arm.cpu.config create mode 100644 templates/gsl/2.6/data.gsl.arm.cpu.config create mode 100644 templates/lapack/3.8.0/data.lapack.arm.cpu.config create mode 100644 templates/libxc/5.1.4/data.libxc.arm.cpu.config create mode 100644 templates/scalapack/2.1.0/data.scalapack.arm.cpu.config diff --git a/package/gsl/2.6/install.sh b/package/gsl/2.6/install.sh index 4094832..2645fa6 100644 --- a/package/gsl/2.6/install.sh +++ b/package/gsl/2.6/install.sh @@ -3,6 +3,6 @@ set -e cd ${JARVIS_TMP} tar -xvf ${JARVIS_DOWNLOAD}/gsl-2.6.tar.gz cd gsl-2.6 -./configure --prefix=$1 +./configure --prefix=$1 CC=clang CXX=clang++ FC=flang make -j make install diff --git a/package/lapack/3.8.0/bisheng/install.sh b/package/lapack/3.8.0/bisheng/install.sh index 5fe0f59..b163ae1 100755 --- a/package/lapack/3.8.0/bisheng/install.sh +++ b/package/lapack/3.8.0/bisheng/install.sh @@ -16,3 +16,4 @@ sed -i '54s/^#//g' ./make.inc make -j mkdir $1/lib/ cp *.a $1/lib/ +cp -r LAPACKE/include $1/ diff --git a/package/libxc/5.1.4/install.sh b/package/libxc/5.1.4/install.sh index cc4d523..3f8dbf1 100644 --- a/package/libxc/5.1.4/install.sh +++ b/package/libxc/5.1.4/install.sh @@ -4,6 +4,6 @@ set -e cd ${JARVIS_TMP} tar -xvf ${JARVIS_DOWNLOAD}/libxc-5.1.4.tar.gz cd libxc-5.1.4 -./configure FC=gfortran CC=gcc --prefix=$1 +./configure --prefix=$1 CC=clang CXX=clang++ FC=flang CFLAGS='-fPIC' FCFLAGS='-fPIC' make -j make install diff --git a/package/scalapack/2.1.0/lapack-bisheng/install.sh b/package/scalapack/2.1.0/lapack-bisheng/install.sh new file mode 100644 index 0000000..b2b6072 --- /dev/null +++ b/package/scalapack/2.1.0/lapack-bisheng/install.sh @@ -0,0 +1,20 @@ +#!/bin/bash +set -x +set -e +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/scalapack-2.1.0.tgz +cd scalapack-2.1.0 +cp SLmake.inc.example SLmake.inc +LAPACK_PATH=$1 +LAPACK_PATH=${LAPACK_PATH%/*/*/*} +LAPACK_PATH=${LAPACK_PATH}/lapack-bisheng/3.8.0/lib +sed -i "58s/-lblas//g" ./SLmake.inc +sed -i "59s/-llapack//g" ./SLmake.inc +sed -i "58s%$%${LAPACK_PATH}/librefblas.a%g" ./SLmake.inc +sed -i "59s%$%${LAPACK_PATH}/liblapack.a%g" ./SLmake.inc +sed -i '17a $(LIBS) += -fuse-ld=lld' REDIST/TESTING/Makefile +make +mkdir -p $1/lib +cp *.a $1/lib +mkdir -p $1/include +cp SRC/*.h $1/include diff --git a/templates/fftw/3.3.8/data.fftw.arm.cpu.config b/templates/fftw/3.3.8/data.fftw.arm.cpu.config new file mode 100644 index 0000000..b43acb2 --- /dev/null +++ b/templates/fftw/3.3.8/data.fftw.arm.cpu.config @@ -0,0 +1,39 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +fftw/3.3.8 https://fftw.org/pub/fftw/fftw-3.3.8.tar.gz +hucx/1.1.1 https://github.com/kunpengcompute/hucx/archive/refs/tags/v1.1.1-huawei.tar.gz hucx-1.1.1-huawei.tar.gz +xucg/1.1.1 https://github.com/kunpengcompute/xucg/archive/refs/tags/v1.1.1-huawei.tar.gz xucg-1.1.1-huawei.tar.gz +hmpi/1.1.1 https://github.com/kunpengcompute/hmpi/archive/refs/tags/v1.1.1-huawei.tar.gz hmpi-1.1.1-huawei.tar.gz +bisheng/2.1.0 https://mirrors.huaweicloud.com/kunpeng/archive/compiler/bisheng_compiler/bisheng-compiler-2.1.0-aarch64-linux.tar.gz + +[DEPENDENCY] +module use ./software/modulefiles +module purge +./jarvis -install bisheng/2.1.0 com +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/1.1.1 clang +module load hmpi1/1.1.1 + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +module load hmpi1/1.1.1 +export CC=mpicc CXX=mpicxx FC=mpifort + +[APP] +app_name = fftw +build_dir = $JARVIS_ROOT +binary_dir = +case_dir = + +[BUILD] +./jarvis -install fftw/3.3.8 clang+mpi + +[RUN] +run = +binary = +node = 1 diff --git a/templates/gsl/2.6/data.gsl.arm.cpu.config b/templates/gsl/2.6/data.gsl.arm.cpu.config new file mode 100644 index 0000000..7d24a37 --- /dev/null +++ b/templates/gsl/2.6/data.gsl.arm.cpu.config @@ -0,0 +1,36 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +gsl/2.6 http://mirrors.ustc.edu.cn/gnu/gsl/gsl-2.6.tar.gz +hucx/1.1.1 https://github.com/kunpengcompute/hucx/archive/refs/tags/v1.1.1-huawei.tar.gz hucx-1.1.1-huawei.tar.gz +xucg/1.1.1 https://github.com/kunpengcompute/xucg/archive/refs/tags/v1.1.1-huawei.tar.gz xucg-1.1.1-huawei.tar.gz +hmpi/1.1.1 https://github.com/kunpengcompute/hmpi/archive/refs/tags/v1.1.1-huawei.tar.gz hmpi-1.1.1-huawei.tar.gz +bisheng/2.1.0 https://mirrors.huaweicloud.com/kunpeng/archive/compiler/bisheng_compiler/bisheng-compiler-2.1.0-aarch64-linux.tar.gz + +[DEPENDENCY] +module use ./software/modulefiles +module purge +./jarvis -install bisheng/2.1.0 com +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang + +[APP] +app_name = gsl +build_dir = $JARVIS_ROOT +binary_dir = +case_dir = + +[BUILD] +./jarvis -install gsl/2.6 clang + +[RUN] +run = +binary = +node = 1 diff --git a/templates/lapack/3.8.0/data.lapack.arm.cpu.config b/templates/lapack/3.8.0/data.lapack.arm.cpu.config new file mode 100644 index 0000000..0edff8f --- /dev/null +++ b/templates/lapack/3.8.0/data.lapack.arm.cpu.config @@ -0,0 +1,32 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +lapack/3.8.0 http://www.netlib.org/lapack/lapack-3.8.0.tar.gz lapack-3.8.0.tgz +bisheng/2.1.0 https://mirrors.huaweicloud.com/kunpeng/archive/compiler/bisheng_compiler/bisheng-compiler-2.1.0-aarch64-linux.tar.gz + +[DEPENDENCY] +module use ./software/modulefiles +module purge +./jarvis -install bisheng/2.1.0 com +module load bisheng2/2.1.0 + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang + +[APP] +app_name = lacack +build_dir = $JARVIS_ROOT +binary_dir = +case_dir = + +[BUILD] +./jarvis -install lapack/3.8.0/bisheng clang + +[RUN] +run = +binary = +node = 1 diff --git a/templates/libxc/5.1.4/data.libxc.arm.cpu.config b/templates/libxc/5.1.4/data.libxc.arm.cpu.config new file mode 100644 index 0000000..6a3d452 --- /dev/null +++ b/templates/libxc/5.1.4/data.libxc.arm.cpu.config @@ -0,0 +1,33 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +libxc/5.1.4 http://www.tddft.org/programs/libxc/down.php?file=5.1.4/libxc-5.1.4.tar.gz libxc-5.1.4.tar.gz +bisheng/2.1.0 https://mirrors.huaweicloud.com/kunpeng/archive/compiler/bisheng_compiler/bisheng-compiler-2.1.0-aarch64-linux.tar.gz + +[DEPENDENCY] +module use ./software/modulefiles +module purge +./jarvis -install bisheng/2.1.0 com +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang + +[APP] +app_name = libxc +build_dir = $JARVIS_ROOT +binary_dir = +case_dir = + +[BUILD] +./jarvis -install libxc/5.1.4 clang + +[RUN] +run = +binary = +node = 1 diff --git a/templates/scalapack/2.1.0/data.scalapack.arm.cpu.config b/templates/scalapack/2.1.0/data.scalapack.arm.cpu.config new file mode 100644 index 0000000..1731912 --- /dev/null +++ b/templates/scalapack/2.1.0/data.scalapack.arm.cpu.config @@ -0,0 +1,40 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +scalapack/2.1.0 http://www.netlib.org/scalapack/scalapack-2.1.0.tgz +hucx/1.1.1 https://github.com/kunpengcompute/hucx/archive/refs/tags/v1.1.1-huawei.tar.gz hucx-1.1.1-huawei.tar.gz +xucg/1.1.1 https://github.com/kunpengcompute/xucg/archive/refs/tags/v1.1.1-huawei.tar.gz xucg-1.1.1-huawei.tar.gz +hmpi/1.1.1 https://github.com/kunpengcompute/hmpi/archive/refs/tags/v1.1.1-huawei.tar.gz hmpi-1.1.1-huawei.tar.gz +bisheng/2.1.0 https://mirrors.huaweicloud.com/kunpeng/archive/compiler/bisheng_compiler/bisheng-compiler-2.1.0-aarch64-linux.tar.gz + +[DEPENDENCY] +module use ./software/modulefiles +module purge +./jarvis -install bisheng/2.1.0 com +module load bisheng2/2.1.0 +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/1.1.1 clang +module load hmpi1/1.1.1 +./jarvis -install lapack/3.8.0/bisheng clang + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng2/2.1.0 +module load hmpi1/1.1.1 +export CC=mpicc CXX=mpicxx FC=mpifort + +[APP] +app_name = scalacack +build_dir = $JARVIS_ROOT +binary_dir = +case_dir = + +[BUILD] +./jarvis -install scalapack/2.1.0/lapack-bisheng clang+mpi + +[RUN] +run = +binary = +node = 1 -- Gitee