MOPAC

安裝流程：

1. Obtain MOPAC 7
   MOPAC 7 is public domain and the source code mopac7.tar.z can be obtained from the WebMO website.
   　

2. Verify that the following packages have been installed on the Linux workstation:
   　

   gcc (or egcs) glibc (or libc) f2c

   This can be checked using the following command:
   % rpm -qa | grep package
   ( 察看工站是否有安裝 gcc, glibc, f2c 套件，通常要手動安裝 f2c 這個套件。)

3. Note that f2c is not installed by default and will likely have to be added. The f2c rpm is found on the Red Hat Linux Powertools Application CD-ROM and can be installed with
   % su
   # mount /mnt/cdrom
   # cd /mnt/cdrom/
   # find . -name "f2c*"
   # cd {RPM directory}
   # rpm -Uhv f2c-19991109-2.i386.rpm
         or
   # rpm -Uhv f2c-20000510-5.i386.rpm
   # cd /
   # umount /mnt/cdrom
   # exit
   ( 這邊是使用光碟安裝，我們把 f2c 這個套件上傳到工作站後，只要執行 rpm -Uhv f2x-20000510-5.i386,rpm 這個指令即可。)

4. Uncompress the MOPAC archive
   % su
   # cd /usr/local
   # cp /download_dir/mopac7.tar.z /usr/local
   # tar xzvf mopac7.tar.z
   # chown -R root:root mopac7
   ( 切換到 /usr/local 的目錄下，將 mopac7.tar 複製到 /usr/local 的目錄下，並解壓縮，再將 mopac 資料夾的 owner 及群組改為 root:root。)

5. Compile MOPAC
   # cd /usr/local/mopac7/mopac_7_source
   # make linux (takes a while)
   # exit
   ( 切換到 /usr/local/mopac7/mopac_7_source 的目錄下，將 mopac 編譯到 linux 裡。完成後 root 登出工作站。)

6. Setup a user to run MOPAC and do a test run
   % cd ~
   % mkdir mopac
   % cd mopac
   % cp -p /usr/local/mopac7/mopac_7_source/examples/test.dat test.dat
   % cp -p /usr/local/mopac7/mopac_7_source/examples/test.out test.out.good
   % /usr/local/mopac7/runmopac test (opens the output file in vi)
   ( 在自己的家目錄下建立 mopac 的資料夾，並切換到  mopac 的資料夾下，將測試檔 copy 至此，執行測試檔，完成後用 vi 開啟 test.log 查看是否有錯誤。)

註：轉自 WebMO Support 網頁。