diff --git a/Life Sciences/README.md b/Life Sciences/README.md index d3aadd7a731e34a52f0676e2d2dc33797db13888..9f507183345d16041be9cf34c9fcdf059125bf31 100644 --- a/Life Sciences/README.md +++ b/Life Sciences/README.md @@ -1,2 +1,3 @@ Life Sciences Software List: - repositories: xxx +- repositories: namd \ No newline at end of file diff --git a/Life Sciences/namd/dependency/bisheng-compiler-2.1.0.sh b/Life Sciences/namd/dependency/bisheng-compiler-2.1.0.sh new file mode 100644 index 0000000000000000000000000000000000000000..3be7ce1a7ca5a3468b87fb74e93920979896c997 --- /dev/null +++ b/Life Sciences/namd/dependency/bisheng-compiler-2.1.0.sh @@ -0,0 +1,41 @@ +#!/bin/bash + +if [[ $# -ne 2 ]]; then + echo "The format is as follows:" + echo "bash bisheng-compiler-2.1.0.sh buildpath installpath" + echo ":param buildpath: 应用构建绝对路径" + echo ":param installpath: 应用安装绝对路径" + exit 1 +fi + +[[ ! "$1" =~ ^/.* || ! -d "$1" || "$1" = "/" ]] && echo "请输入正确的构建路径" && exit 1 +[[ ! "$2" =~ ^/.* || ! -d "$2" || "$2" = "/" ]] && echo "请输入正确的安装路径" && exit 1 + +buildpath=$1 +installpath=$2 +[[ "$buildpath" =~ .*/$ ]] && buildpath=${buildpath%/*} +[[ "$installpath" =~ .*/$ ]] && installpath=${installpath%/*} +set -e +yum install -y wget tar environment-modules libatomic + +wget -t 0 -c -P $buildpath https://mirrors.huaweicloud.com/kunpeng/archive/compiler/bisheng_compiler/bisheng-compiler-2.1.0-aarch64-linux.tar.gz +tar xf $buildpath/bisheng-compiler-2.1.0-aarch64-linux.tar.gz -C $buildpath && rm -rf $buildpath/bisheng-compiler-2.1.0-aarch64-linux.tar.gz +mkdir -p $installpath/bisheng-compiler-2.1.0 && cp -r $buildpath/bisheng-compiler-2.1.0-aarch64-linux/* $installpath/bisheng-compiler-2.1.0/ + +cat>"$installpath/bisheng-compiler-2.1.0/bisheng_modulefiles"<"$installpath/hmpi-1.1.1/hmpi_modulefiles"<