diff --git a/LifeSciences/AutoDock-4.2.6/autodock-4.2.6.sh b/LifeSciences/AutoDock-4.2.6/autodock-4.2.6.sh index 090ee31b51b9b1350c7a5d80bb65995a14fb3195..b27483577617f43a8a92796d6550aeb392232806 100644 --- a/LifeSciences/AutoDock-4.2.6/autodock-4.2.6.sh +++ b/LifeSciences/AutoDock-4.2.6/autodock-4.2.6.sh @@ -24,12 +24,12 @@ rm -rf $buildpath/autodocksuite-4.2.6-src.tar.gz echo "安装autodock4" cd $buildpath/autodocksuite-4.2.6/autodock -CC=clang CXX=clang++ ./configure --prefix=$installpath/autodock-4.2.6 +CC=clang CXX=clang++ CFLAGS="-march=armv8.2-a -fsigned-char -ffp-contract=off" CXXFLAGS="-march=armv8.2-a -fsigned-char -ffp-contract=off" ./configure --prefix=$installpath/autodock-4.2.6 make make install echo "安装autogrid" cd $buildpath/autodocksuite-4.2.6/autogrid -CC=clang CXX=clang++ ./configure --prefix=$installpath/autodock-4.2.6 +CC=clang CXX=clang++ CFLAGS="-march=armv8.2-a -fsigned-char -ffp-contract=off" CXXFLAGS="-march=armv8.2-a -fsigned-char -ffp-contract=off" ./configure --prefix=$installpath/autodock-4.2.6 make make install echo "配置环境变量" diff --git a/LifeSciences/AutoDock-4.2.6/build.sh b/LifeSciences/AutoDock-4.2.6/build.sh index c0cdd038d8cdb7d87798615efb60640ab56dffc5..be951ee0a698a6e9e49f9933ff15b04a5d36953e 100644 --- a/LifeSciences/AutoDock-4.2.6/build.sh +++ b/LifeSciences/AutoDock-4.2.6/build.sh @@ -39,10 +39,13 @@ cat>"pkg/autodock-4.2.6-hpc/run.sh"< /dev/null -current_dir=\$(cd "\$(dirname "\${BASH_SOURCE[0]}")" &> /dev/null && pwd) -for d in \$(ls \$current_dir) -do - [[ ! -f "\$current_dir/\$d" ]] && cd \$current_dir/\$d && module use \$(pwd) && module load \$(pwd)/*modulefiles +# Get the absolute path of the current script +current_dir="\$(cd "\$(dirname "\${BASH_SOURCE[0]}")" && pwd -P)" + +for f in "\${current_dir}"/*; do + if [[ -d "\${f}" && -f "\$(ls "\${f}"/*_modulefiles 2>&1)" ]]; then + module use "\${f}" && module load "\${f}"/*_modulefiles + fi done EOF cd pkg/ && tar zcvf autodock-4.2.6-hpc.tar.gz autodock-4.2.6-hpc diff --git "a/LifeSciences/AutoDock-4.2.6/doc/AutoDock-4.2.6\345\272\224\347\224\250\347\247\273\346\244\215\346\214\207\345\215\227.docx" "b/LifeSciences/AutoDock-4.2.6/doc/AutoDock-4.2.6\345\272\224\347\224\250\347\247\273\346\244\215\346\214\207\345\215\227.docx" index f6044dd3d62976321c6ddafda81c284d25feb68f..eaf4bc3c06f0ef80810f440979cdc75209ece4ff 100644 Binary files "a/LifeSciences/AutoDock-4.2.6/doc/AutoDock-4.2.6\345\272\224\347\224\250\347\247\273\346\244\215\346\214\207\345\215\227.docx" and "b/LifeSciences/AutoDock-4.2.6/doc/AutoDock-4.2.6\345\272\224\347\224\250\347\247\273\346\244\215\346\214\207\345\215\227.docx" differ diff --git "a/LifeSciences/AutoDock-4.2.6/doc/Devkit\346\212\245\345\221\212/AutoDock-4.2.6 Devkit\350\277\201\347\247\273\344\270\216\350\260\203\344\274\230\346\212\245\345\221\212.docx" "b/LifeSciences/AutoDock-4.2.6/doc/Devkit\346\212\245\345\221\212/AutoDock-4.2.6 Devkit\350\277\201\347\247\273\344\270\216\350\260\203\344\274\230\346\212\245\345\221\212.docx" index b4bd2ae4fbffce9cae35a74ad983ff0889653f33..ae32b5622411cfe1cb363a96fe7b9f96b172cfec 100644 Binary files "a/LifeSciences/AutoDock-4.2.6/doc/Devkit\346\212\245\345\221\212/AutoDock-4.2.6 Devkit\350\277\201\347\247\273\344\270\216\350\260\203\344\274\230\346\212\245\345\221\212.docx" and "b/LifeSciences/AutoDock-4.2.6/doc/Devkit\346\212\245\345\221\212/AutoDock-4.2.6 Devkit\350\277\201\347\247\273\344\270\216\350\260\203\344\274\230\346\212\245\345\221\212.docx" differ