As to what I know, there are ETSF and SCILinux now. But they still can't achive the demands in my question.

http://www.etsf.eu/resources/software/etsf_software_repository

Scilinux

https://www.scientificlinux.org/

I can't understand you clearly but you can see this which may be useful

http://www.cygwin.com/

Dear Mohamed Hanoun：

Maybe I didn't describe my question clearly, I am just looking for a liveCD Linux that once installed in the computer, it already contain all the necessary softwares.

Dear Robert Wahlstedt:

I think that your suggestion is useful, but that system is for mathematics. What I need is for ab-inito physics.

Is this any good??

https://www.scientificlinux.org/

there is a liveCD

My department deploys ScientificLinux on all machines, which is a good base to start from. But the codes you are asking for are not part of standard repositories, so one would have a hard time setting up and maintaining a distribution that includes them - and updates them when necessary. In my experience, these codes will have to be installed and maintained by your local research group.

How about building your own liveCD?

https://help.ubuntu.com/community/LiveCDCustomization

http://sourceforge.net/projects/uck/

http://www.ddcode.com/linux/ub/ubuntu-livecd-creator.html

getting exactly what you want may exist somewhere out there, have you looked here

http://software.ddcode.com/physics-live-cd.html

good luck