From dfcd04a9900d1a94344f82bc994198db783139f7 Mon Sep 17 00:00:00 2001 From: chenshaoheng Date: Tue, 20 Feb 2024 06:18:29 +0000 Subject: [PATCH 1/3] add package/bisheng/3.2.0/install-mini.sh. Signed-off-by: chenshaoheng --- package/bisheng/3.2.0/install-mini.sh | 4 ++++ 1 file changed, 4 insertions(+) create mode 100644 package/bisheng/3.2.0/install-mini.sh diff --git a/package/bisheng/3.2.0/install-mini.sh b/package/bisheng/3.2.0/install-mini.sh new file mode 100644 index 0000000..21578c6 --- /dev/null +++ b/package/bisheng/3.2.0/install-mini.sh @@ -0,0 +1,4 @@ +#!/bin/bash +set -e +export bisheng_ver='BiShengCompiler-3.2.0-aarch64-linux-mini' +../meta.sh $1 \ No newline at end of file -- Gitee From 4295d4212a576ea5e3bf7f0a19fcb957f95adb3c Mon Sep 17 00:00:00 2001 From: chenshaoheng Date: Tue, 20 Feb 2024 14:41:38 +0800 Subject: [PATCH 2/3] add bisheng3.2.0mini --- init.sh | 0 package/bisheng/2.5.0/install.sh | 0 package/bisheng/3.1.0/install.sh | 0 package/bisheng/3.2.0-mini/install.sh | 11 ++++ package/bisheng/3.2.0/install-mini.sh | 4 -- package/bisheng/3.2.0/install.sh | 0 package/blas/3.8.0/install.sh | 0 package/blitz/1.0.1/install.sh | 0 package/code_aster/14.6.0/install.sh | 0 package/g2clib/1.6.0/clang/install.sh | 0 package/glibc/2.28/install.sh | 0 package/hmpi/1.3.1/install.sh | 0 package/hmpi/2.3.0/install.sh | 0 package/jasper/1.900.2/install.sh | 0 package/kml/1.6.0/gcc/install.sh | 0 package/kml/2.1.0/bisheng/install.sh | 0 package/kml/2.1.0/gcc/install.sh | 0 package/kp-hpc/1.0.0/install.sh | 0 package/libtirpc/1.3.3/install.sh | 0 package/lmbench/3.0/install.sh | 0 package/mpich/4.1.1/install.sh | 0 package/nco/5.1.4/install.sh | 0 package/netcdf/4.7.4/clang/install.sh | 0 package/netcdf/4.8.1/clang/install.sh | 0 package/netcdf/meta.sh | 0 package/osu/7.2.0/install.sh | 0 package/pio/2.5.10/install.sh | 0 package/prefetch/1.0/install.sh | 0 package/singularity/meta.sh | 0 package/slepc/3.18.1/install.sh | 0 package/udunits/2.2.28/install.sh | 0 package/xios/1.0/install.sh | 0 proxy.sh | 0 .../6.8.1/data.nwchem-new.arm.cpu.config | 51 +++++++++++++++++++ test/test-automake.sh | 0 test/test-bedtools.sh | 0 test/test-blas.sh | 0 test/test-boost.sh | 0 test/test-copt.sh | 0 test/test-curl.sh | 0 test/test-grib_api.sh | 0 test/test-ioapi.sh | 0 test/test-jasper.sh | 0 test/test-mg-cfd.sh | 0 test/test-mumps.sh | 0 test/test-octopus.sh | 0 test/test-opencoarrays.sh | 0 test/test-petsc.sh | 0 test/test-scotch.sh | 0 test/test-slepc.sh | 0 test/test-su2.sh | 0 test/test_git.sh | 0 52 files changed, 62 insertions(+), 4 deletions(-) mode change 100644 => 100755 init.sh mode change 100644 => 100755 package/bisheng/2.5.0/install.sh mode change 100644 => 100755 package/bisheng/3.1.0/install.sh create mode 100755 package/bisheng/3.2.0-mini/install.sh delete mode 100644 package/bisheng/3.2.0/install-mini.sh mode change 100644 => 100755 package/bisheng/3.2.0/install.sh mode change 100644 => 100755 package/blas/3.8.0/install.sh mode change 100644 => 100755 package/blitz/1.0.1/install.sh mode change 100644 => 100755 package/code_aster/14.6.0/install.sh mode change 100644 => 100755 package/g2clib/1.6.0/clang/install.sh mode change 100644 => 100755 package/glibc/2.28/install.sh mode change 100644 => 100755 package/hmpi/1.3.1/install.sh mode change 100644 => 100755 package/hmpi/2.3.0/install.sh mode change 100644 => 100755 package/jasper/1.900.2/install.sh mode change 100644 => 100755 package/kml/1.6.0/gcc/install.sh mode change 100644 => 100755 package/kml/2.1.0/bisheng/install.sh mode change 100644 => 100755 package/kml/2.1.0/gcc/install.sh mode change 100644 => 100755 package/kp-hpc/1.0.0/install.sh mode change 100644 => 100755 package/libtirpc/1.3.3/install.sh mode change 100644 => 100755 package/lmbench/3.0/install.sh mode change 100644 => 100755 package/mpich/4.1.1/install.sh mode change 100644 => 100755 package/nco/5.1.4/install.sh mode change 100644 => 100755 package/netcdf/4.7.4/clang/install.sh mode change 100644 => 100755 package/netcdf/4.8.1/clang/install.sh mode change 100644 => 100755 package/netcdf/meta.sh mode change 100644 => 100755 package/osu/7.2.0/install.sh mode change 100644 => 100755 package/pio/2.5.10/install.sh mode change 100644 => 100755 package/prefetch/1.0/install.sh mode change 100644 => 100755 package/singularity/meta.sh mode change 100644 => 100755 package/slepc/3.18.1/install.sh mode change 100644 => 100755 package/udunits/2.2.28/install.sh mode change 100644 => 100755 package/xios/1.0/install.sh mode change 100644 => 100755 proxy.sh create mode 100644 templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config mode change 100644 => 100755 test/test-automake.sh mode change 100644 => 100755 test/test-bedtools.sh mode change 100644 => 100755 test/test-blas.sh mode change 100644 => 100755 test/test-boost.sh mode change 100644 => 100755 test/test-copt.sh mode change 100644 => 100755 test/test-curl.sh mode change 100644 => 100755 test/test-grib_api.sh mode change 100644 => 100755 test/test-ioapi.sh mode change 100644 => 100755 test/test-jasper.sh mode change 100644 => 100755 test/test-mg-cfd.sh mode change 100644 => 100755 test/test-mumps.sh mode change 100644 => 100755 test/test-octopus.sh mode change 100644 => 100755 test/test-opencoarrays.sh mode change 100644 => 100755 test/test-petsc.sh mode change 100644 => 100755 test/test-scotch.sh mode change 100644 => 100755 test/test-slepc.sh mode change 100644 => 100755 test/test-su2.sh mode change 100644 => 100755 test/test_git.sh diff --git a/init.sh b/init.sh old mode 100644 new mode 100755 diff --git a/package/bisheng/2.5.0/install.sh b/package/bisheng/2.5.0/install.sh old mode 100644 new mode 100755 diff --git a/package/bisheng/3.1.0/install.sh b/package/bisheng/3.1.0/install.sh old mode 100644 new mode 100755 diff --git a/package/bisheng/3.2.0-mini/install.sh b/package/bisheng/3.2.0-mini/install.sh new file mode 100755 index 0000000..2f19120 --- /dev/null +++ b/package/bisheng/3.2.0-mini/install.sh @@ -0,0 +1,11 @@ +#!/bin/bash +set -e +export bisheng_ver='BiShengCompiler-3.2.0' +arch='x86' +if [ x$(arch) = xaarch64 ];then + arch='aarch64' +fi +. ${DOWNLOAD_TOOL} -u https://mirrors.huaweicloud.com/kunpeng/archive/compiler/bisheng_compiler/${bisheng_ver}-${arch}-linux-mini.tar.gz +cd ${JARVIS_TMP} +. $CHECK_ROOT && yum -y install libatomic libstdc++ libstdc++-devel +tar xzvf ${JARVIS_DOWNLOAD}/${bisheng_ver}-${arch}-linux-mini.tar.gz -C $1 --strip-components=1 diff --git a/package/bisheng/3.2.0/install-mini.sh b/package/bisheng/3.2.0/install-mini.sh deleted file mode 100644 index 21578c6..0000000 --- a/package/bisheng/3.2.0/install-mini.sh +++ /dev/null @@ -1,4 +0,0 @@ -#!/bin/bash -set -e -export bisheng_ver='BiShengCompiler-3.2.0-aarch64-linux-mini' -../meta.sh $1 \ No newline at end of file diff --git a/package/bisheng/3.2.0/install.sh b/package/bisheng/3.2.0/install.sh old mode 100644 new mode 100755 diff --git a/package/blas/3.8.0/install.sh b/package/blas/3.8.0/install.sh old mode 100644 new mode 100755 diff --git a/package/blitz/1.0.1/install.sh b/package/blitz/1.0.1/install.sh old mode 100644 new mode 100755 diff --git a/package/code_aster/14.6.0/install.sh b/package/code_aster/14.6.0/install.sh old mode 100644 new mode 100755 diff --git a/package/g2clib/1.6.0/clang/install.sh b/package/g2clib/1.6.0/clang/install.sh old mode 100644 new mode 100755 diff --git a/package/glibc/2.28/install.sh b/package/glibc/2.28/install.sh old mode 100644 new mode 100755 diff --git a/package/hmpi/1.3.1/install.sh b/package/hmpi/1.3.1/install.sh old mode 100644 new mode 100755 diff --git a/package/hmpi/2.3.0/install.sh b/package/hmpi/2.3.0/install.sh old mode 100644 new mode 100755 diff --git a/package/jasper/1.900.2/install.sh b/package/jasper/1.900.2/install.sh old mode 100644 new mode 100755 diff --git a/package/kml/1.6.0/gcc/install.sh b/package/kml/1.6.0/gcc/install.sh old mode 100644 new mode 100755 diff --git a/package/kml/2.1.0/bisheng/install.sh b/package/kml/2.1.0/bisheng/install.sh old mode 100644 new mode 100755 diff --git a/package/kml/2.1.0/gcc/install.sh b/package/kml/2.1.0/gcc/install.sh old mode 100644 new mode 100755 diff --git a/package/kp-hpc/1.0.0/install.sh b/package/kp-hpc/1.0.0/install.sh old mode 100644 new mode 100755 diff --git a/package/libtirpc/1.3.3/install.sh b/package/libtirpc/1.3.3/install.sh old mode 100644 new mode 100755 diff --git a/package/lmbench/3.0/install.sh b/package/lmbench/3.0/install.sh old mode 100644 new mode 100755 diff --git a/package/mpich/4.1.1/install.sh b/package/mpich/4.1.1/install.sh old mode 100644 new mode 100755 diff --git a/package/nco/5.1.4/install.sh b/package/nco/5.1.4/install.sh old mode 100644 new mode 100755 diff --git a/package/netcdf/4.7.4/clang/install.sh b/package/netcdf/4.7.4/clang/install.sh old mode 100644 new mode 100755 diff --git a/package/netcdf/4.8.1/clang/install.sh b/package/netcdf/4.8.1/clang/install.sh old mode 100644 new mode 100755 diff --git a/package/netcdf/meta.sh b/package/netcdf/meta.sh old mode 100644 new mode 100755 diff --git a/package/osu/7.2.0/install.sh b/package/osu/7.2.0/install.sh old mode 100644 new mode 100755 diff --git a/package/pio/2.5.10/install.sh b/package/pio/2.5.10/install.sh old mode 100644 new mode 100755 diff --git a/package/prefetch/1.0/install.sh b/package/prefetch/1.0/install.sh old mode 100644 new mode 100755 diff --git a/package/singularity/meta.sh b/package/singularity/meta.sh old mode 100644 new mode 100755 diff --git a/package/slepc/3.18.1/install.sh b/package/slepc/3.18.1/install.sh old mode 100644 new mode 100755 diff --git a/package/udunits/2.2.28/install.sh b/package/udunits/2.2.28/install.sh old mode 100644 new mode 100755 diff --git a/package/xios/1.0/install.sh b/package/xios/1.0/install.sh old mode 100644 new mode 100755 diff --git a/proxy.sh b/proxy.sh old mode 100644 new mode 100755 diff --git a/templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config b/templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config new file mode 100644 index 0000000..0472f15 --- /dev/null +++ b/templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config @@ -0,0 +1,51 @@ +[SERVER] +11.11.11.11 + +[DOWNLOAD] +nwchem/6.8.1 https://codeload.github.com/NWChemgit/NWChem/tar.gz/6.8.1-release nwchem-6.8.1-release.tar.gz +ga/5.6.5 $JARVIS_PROXY/edoapra/ga/releases/download/v5.6.5/ga-5.6.5.tar.gz + + +[DEPENDENCY] +module purge +./jarvis -install bisheng/3.2.0-mini com +module use ./software/modulefiles +module load bisheng/3.2.0-mini +export CC=clang CXX=clang++ FC=flang +./jarvis -install hmpi/2.3.0 clang +module load hmpi/2.3.0 + +[ENV] +module use ./software/modulefiles +module purge +module load bisheng/3.2.0-mini +module load hmpi/2.3.0 +export CC=clang CXX=clang++ FC=flang + +[APP] +app_name = nwchem +build_dir = ${JARVIS_ROOT} +binary_dir = ./software/apps/bisheng/nwchem/6.8.1 +case_dir = + +[BUILD] +cd ${JARVIS_TMP} +tar -xvf ${JARVIS_DOWNLOAD}/nwchem-6.8.1-release.tar.gz +cd nwchem-6.8.1-release +cd src/tools +tar -zxvf ${JARVIS_DOWNLOAD}/ga-5.6.5.tar.gz +export NWCHEM_TOP=${JARVIS_TMP}/nwchem-6.8.1-release +export NWCHEM_TARGET=LINUX64 +export NWCHEM_MODULES=all +export USE_MPI=y +export USE_INTERNALBLAS=y +export NWCHEM_LONG_PATHS=Y +cd ${JARVIS_TMP}/nwchem-6.8.1-release/src +make nwchem_config +make FC=flang + +[RUN] +run = +binary = +nodes = 1 + diff --git a/test/test-automake.sh b/test/test-automake.sh old mode 100644 new mode 100755 diff --git a/test/test-bedtools.sh b/test/test-bedtools.sh old mode 100644 new mode 100755 diff --git a/test/test-blas.sh b/test/test-blas.sh old mode 100644 new mode 100755 diff --git a/test/test-boost.sh b/test/test-boost.sh old mode 100644 new mode 100755 diff --git a/test/test-copt.sh b/test/test-copt.sh old mode 100644 new mode 100755 diff --git a/test/test-curl.sh b/test/test-curl.sh old mode 100644 new mode 100755 diff --git a/test/test-grib_api.sh b/test/test-grib_api.sh old mode 100644 new mode 100755 diff --git a/test/test-ioapi.sh b/test/test-ioapi.sh old mode 100644 new mode 100755 diff --git a/test/test-jasper.sh b/test/test-jasper.sh old mode 100644 new mode 100755 diff --git a/test/test-mg-cfd.sh b/test/test-mg-cfd.sh old mode 100644 new mode 100755 diff --git a/test/test-mumps.sh b/test/test-mumps.sh old mode 100644 new mode 100755 diff --git a/test/test-octopus.sh b/test/test-octopus.sh old mode 100644 new mode 100755 diff --git a/test/test-opencoarrays.sh b/test/test-opencoarrays.sh old mode 100644 new mode 100755 diff --git a/test/test-petsc.sh b/test/test-petsc.sh old mode 100644 new mode 100755 diff --git a/test/test-scotch.sh b/test/test-scotch.sh old mode 100644 new mode 100755 diff --git a/test/test-slepc.sh b/test/test-slepc.sh old mode 100644 new mode 100755 diff --git a/test/test-su2.sh b/test/test-su2.sh old mode 100644 new mode 100755 diff --git a/test/test_git.sh b/test/test_git.sh old mode 100644 new mode 100755 -- Gitee From 5ca9faceedc316875fabc6971b6f6fbc8fe11f96 Mon Sep 17 00:00:00 2001 From: chenshaoheng Date: Tue, 20 Feb 2024 16:57:44 +0800 Subject: [PATCH 3/3] add templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config --- .../6.8.1/data.NWchem.armcpu.config.def | 41 +++++++++++++++++++ package/hmpi/2.3.0/install.sh | 2 +- .../6.8.1/data.nwchem-new.arm.cpu.config | 3 ++ 3 files changed, 45 insertions(+), 1 deletion(-) create mode 100644 container/nwchem/6.8.1/data.NWchem.armcpu.config.def diff --git a/container/nwchem/6.8.1/data.NWchem.armcpu.config.def b/container/nwchem/6.8.1/data.NWchem.armcpu.config.def new file mode 100644 index 0000000..193c499 --- /dev/null +++ b/container/nwchem/6.8.1/data.NWchem.armcpu.config.def @@ -0,0 +1,41 @@ +BootStrap: docker +From: openeuler/openeuler:22.03-lts-sp2 + +%environment + source /etc/profile || true + source /etc/profile.d/modules.sh + cd /hpcrunner + source env.sh + +%post + # Install the necessary development environment + yum install -y environment-modules git dmidecode pciutils wget vim unzip curl zlib zlib-devel + # Install base gcc + yum install -y gcc gcc-c++ gcc-gfortran glibc-devel make libgfortran cmake + # install network package + yum install -y flex tcsh tcl lsof tk bc + source /etc/profile || true + git config --global http.sslVerify false + git config --global user.name 'chenshaoheng' + git config --global user.email 'chenshaoheng3@h-partners.com' + git clone https://gitee.com/chenshaoheng/hpcrunner + cd /hpcrunner + source ./init.sh + # add your personal files here + + # Switch config + ./jarvis -use templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config + # download dependency + ./jarvis -d + # install dependency + ./jarvis -dp + # build hpc + ./jarvis -b + # run hpc + ./jarvis -r + # clean tmp directory + rm -rf downloads tmp + + +%labels + Author chen diff --git a/package/hmpi/2.3.0/install.sh b/package/hmpi/2.3.0/install.sh index 4772140..5696ee6 100755 --- a/package/hmpi/2.3.0/install.sh +++ b/package/hmpi/2.3.0/install.sh @@ -11,7 +11,7 @@ rm hucx-v${hmpi_version}-huawei -rf tar xf ${JARVIS_DOWNLOAD}/hucx-${hmpi_version}-huawei.tar.gz cd hucx-v${hmpi_version}-huawei ./autogen.sh -./contrib/configure-opt --prefix=$1/hucx --disable-numa --enable-mt CFLAGS="-Wno-unused-but-set-variable -Wno-error=int-conversion" CXXFLAGS="-Wno-unused-but-set-variable -Wno-error=int-conversion" +./contrib/configure-opt --prefix=$1/hucx --disable-numa --enable-mt CFLAGS="-Wno-unused-but-set-variable -Wno-error=int-conversion" CXXFLAGS="-Wno-unused-but-set-variable -Wno-error=int-conversion" LDFLAGS="-L/usr/lib64 -lbfd" make -j make -j install cd - diff --git a/templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config b/templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config index 0472f15..9cee4f0 100644 --- a/templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config +++ b/templates/nwchem/6.8.1/data.nwchem-new.arm.cpu.config @@ -13,12 +13,15 @@ module use ./software/modulefiles module load bisheng/3.2.0-mini export CC=clang CXX=clang++ FC=flang ./jarvis -install hmpi/2.3.0 clang +module use ./software/moduledeps/bisheng/3.2.0 module load hmpi/2.3.0 + [ENV] module use ./software/modulefiles module purge module load bisheng/3.2.0-mini +module use ./software/moduledeps/bisheng/3.2.0 module load hmpi/2.3.0 export CC=clang CXX=clang++ FC=flang -- Gitee