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souledge

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[资源] 【原创】在Fedora下安装Materials Studio 4.3已有3人参与

系统环境：Fedora 12 i386 chs，运行于VMWare 7下。
直接安装Materials Studio 4.3会确定无疑的提示如下（比如只选择3号，也就是CASTEP安装。）：
Checking for dependencies for CASTEPServer:7
Checking for dependencies for CASTEP: None
Checking for dependencies for Licensing:1
Checking for dependencies for LicensePack: None
Aborting Materials Studio installation.
然后看到当前用户目录下，只有个空荡荡的Accelrys的文件夹。
其实，上面那些依赖信息和数字，并不是失败的根源，有兴趣的同学可以参考一下安装盘中/UNIX/installer/Linux/default下三个配置文件就明白了。
具体发现如何修改的过程就不说了，其实在T2050的破CPU的老本本下跑VM还是很痛苦的，并且Materials Studio也是个大软件，为了查找发生错误的根源，从最基本的install.log（写个脚本在删除前拷贝出）开始入手，一点点的翻阅可能有关的所有安装用脚本、配置文件和安装包，折腾了三个小时才搞定。幸好自己有不少写C/C++玩的经验，否则这么多代码，估计得看到明天早晨了。
直接入正题了。
做两处修改，第一个，/UNIX/Installer/lib/InstallTools.pm中，有个子函数GetOSVersion。其中校验了两个系统。把出现的四个redhat-release都修改为fedora-release。
第二个，/UNIX/Installer/lib/LicensePack.pm中，有一段是安装证书包的，问题出在if的检验上。原来的代码：
if (
system(
"$SourcePath/installer/call_lp_setup.csh $extraarg $MSInstallRoot $msi_lic_pack_dir $LicSource $SourcePath/installer"
) != 0
)
直接在终端测试，无法运行call_lp_setup.csh，所以结果肯定是非零，根据判断非零所需要调用的代码，大家很痛心疾首的：
print "Aborting Materials Studio installation.\n";
system("rm -rf $MSInstallRoot"

;
于是，直接更新了csh脚本执行命令，然后为了防止系统默认并不是执行的csh而是其他脚本命令，直接在代码强制执行csh，所以这段代码就成为了：
if (
system(
"csh $SourcePath/installer/call_lp_setup.csh $extraarg $MSInstallRoot $msi_lic_pack_dir $LicSource $SourcePath/installer"
) != 0
)
于是再进行安装，一切顺利。
顺便后悔一下安装了Linux Security，居然把我的Gataway给拦截了。以前还拦截了Adobe Reader，崩溃。
另外，由于Ubuntu是基于Debian的，使用的包的类型与Red Hat和SUSE都不太相同，想要做修改安装的同学，要再多加点油了。至少现在，Fedora和CentOS应该是都没有问题的了。
当然了，前提是先需要把安装文件从ISO中拷贝到硬盘上，否则是无法修改后保存的。
修改后的安装过程入下（终端过程，由于VM中划分的硬盘空间比较小，所以只安装了CASTEP作为例子，其他的也都没有问题）：

CODE:

[VM@localhost ~]$ cd MS 

[VM@localhost MS]$ ls 

Crack  Info  Legal  README_Materials_Studio.htm  UNIX 

[VM@localhost MS]$ cd UNIX 

[VM@localhost UNIX]$ ./Install 

Running Materials Studio installer for platform Linux... 

Please specify an absolute destination path [/home/VM/Accelrys/MaterialsStudio43] : 

Please choose the package you wish to install: 

  1. AmorphousCell Server 

  2. Blends Server 

  3. CASTEP Server 

  4. CCDC Servers (ConQuest, Motif) 

  5. Conformers Server 

  6. DMol3 Server 

  7. DPD Server 

  8. Discover Server 

  9. Equilibria Server 

  10. Forcite Server 

  11. GULP Server 

  12. Gaussian Server 

  13. MesoDyn Server 

  14. Mesotek Server 

  15. Morphology Server 

  16. ONETEP Server 

  17. Polymorph Server 

  18. QMERA Server 

  19. QSAR Models Server 

  20. Reflex+ Server 

  21. Reflex QPA Server 

  22. Reflex Server 

  23. Sorption Server 

  24. Structures Library 

  25. VAMP Server 

  26. Everything 

Enter items to install (e.g. 1,2,5) , or Q to quit : 3 

Starting installation... 

Install log in /home/VM/Accelrys/MaterialsStudio43/install.log 

Checking for dependencies for CASTEPServer:7 

Checking for dependencies for CASTEP: None 

Checking for dependencies for Licensing:1 

Checking for dependencies for LicensePack: None 

/home/VM/MS/UNIX/License_Pack/lp_setup: line 77: [: too many arguments 

          Initializing InstallShield Wizard........ 

          Launching InstallShield Wizard........ 

/home/VM/MS/UNIX/License_Pack/lp_setup_linux.sh: line 1735: warning: here-document at line 1735 delimited by end-of-file (wanted `/dev/null') 

------------------------------------------------------------------------------- 

Accelrys License Pack 7.5 - InstallShield Wizard 

Welcome to the InstallShield Wizard for Accelrys License Pack 7.5 

The InstallShield Wizard will install Accelrys License Pack 7.5 on your 

computer. 

To continue, choose Next. 

Accelrys License Pack 7.5 

Accelrys Software Inc. 

http://www.accelrys.com 

Press 1 for Next, 3 to Cancel or 5 to Redisplay [1] 1 

------------------------------------------------------------------------------- 

Accelrys License Pack 7.5 - InstallShield Wizard 

Accelrys License Pack 7.5 Install Location 

Please specify a directory or press Enter to accept the default directory. 

Destination Directory [/home/VM/Accelrys] 

Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] 1 

------------------------------------------------------------------------------- 

Accelrys License Pack 7.5 - InstallShield Wizard 

Select the features for "Accelrys License Pack 7.5" you would like to install: 

   Accelrys License Pack 7.5 

   To select/deselect a feature or to view its children, type its number: 

     1.  [x] LicensePack 

     2.  [ ] Compatibility LicensePack 

   The Compatibility LicensePack is required for supporting Accelrys software 

   shipped with License Packs 6.x or lower and to support IRIX and Solaris 

   platforms. See License Pack documentation for complete list of Accelrys 

   software supported by this License Pack. 

   Other options: 

     0. Continue installing 

   Enter command [0] 0 

Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] 1 

------------------------------------------------------------------------------- 

Accelrys License Pack 7.5 - InstallShield Wizard 

Accelrys License Pack 7.5 will be installed in the following location: 

/home/VM/Accelrys/LicensePack 

with the following features: 

LicensePack 

for a total size: 

 153.8 MB 

Press 1 for Next, 2 for Previous, 3 to Cancel or 5 to Redisplay [1] 1 

------------------------------------------------------------------------------- 

Accelrys License Pack 7.5 - InstallShield Wizard 

Installing Accelrys License Pack 7.5. Please wait... 

|-----------|-----------|-----------|------------| 

0%         25%         50%         75%        100% 

|||||||||||||||||||||||||||||||||||||||||||||||||| 

Creating uninstaller... 

Finalizing the Vital Product Data Registry. Please wait... 

Configuring License Pack 

------------------------------------------------------------------------------- 

Accelrys License Pack 7.5 - InstallShield Wizard 

The InstallShield Wizard has successfully installed Accelrys License Pack 7.5. 

Choose Finish to exit the wizard. 

Press 3 to Finish or 5 to Redisplay [3] 3 

Checking for dependencies for MKL:1 

Checking for dependencies for IntelRuntime: None 

Checking for dependencies for HPMPI:1 

At least one MPI-capable server was selected. Do you want to configure 

Materials Studio to use HP-MPI? [Y/n]  y 

Should HPMPI use SSH? [Y/n]:  y 

Configuring HP-MPI installation 

Setting up machines.LINUX file in /home/VM/Accelrys/MaterialsStudio43/share/data 

Checking for dependencies for SharedSetup:4 

Checking for dependencies for GatewayTmp: None 

Please specify the location for temporary files (required for certain 

computational servers), e.g., /tmp or /usr/tmp.  Enter ./tmp if you prefer 

to create these files in the directory where the job is being run. Please 

note that the ./tmp setting could create additional I/O overhead and thereby 

affect performance [/tmp] : 

Checking for dependencies for GatewayScripts: None 

Configuring environment setup 

Setting installation path in environment setup script files 

Checking for dependencies for Gateway:2 

Configuring Gateway to use default port 

Configuring Gateway for supported queueing systems 

Checking for dependencies for PPComponents: None 

Creating Stand alone CASTEP script /home/VM/Accelrys/MaterialsStudio43/CASTEP/bin/RunCASTEP.sh 

System configuration details for HP-MPI 

These checks assume that the default user authentication mechanism is being 

used. Your System Administrator may have chosen to use an alternative 

mechanism. If you find that parallel jobs fail you should consult your 

System Administrator and ask them to perform appropriate configuration 

work. For further details please refer your System Administrator to the 

installation documentation under the info folder on your installation CD 

Checking remote shell settings for MPI 

openssh-clients package is installed. 

/etc/hosts.equiv does not exist. The HP-MPI installation included as part of 

this Materials Studio requires that this file exists and contains 

the lines in /home/VM/Accelrys/MaterialsStudio43/hosts.equiv. 

Please ask your systems administrator 

to create a /etc/hosts.equiv file that contains these lines. 

Press ENTER to continue: 

If you would like the Gateway at /home/VM/Accelrys/MaterialsStudio43/etc 

to be started automatically when the system is restarted 

you will need to get your administrator to place a copy of 

/home/VM/Accelrys/MaterialsStudio43/etc/Gateway/msgateway_control_18888 in /etc/rc.d/init.d/msgateway_control_18888 

and run: 

/sbin/chkconfig --add msgateway_control_18888 

Please refer to the installation instructions for more details. 

A Materials Studio Gateway provides access to server components 

installed  on your machine. By default the Gateway is configured 

to use minimum security. You can use the Gateway configuration 

tools after installation to enforce higher levels of security. 

The servers in this installation will not be available from the 

Materials Studio visualizer until the Gateway has been started. 

If you choose not to start the Gateway now you will need to start 

it manually after this installation has completed. 

Please refer to the help text on the CD for instructions on how 

to start, stop, and customize your Gateway configuration. 

Would you like to start the Gateway service now? [Y/n]: y 

Starting gateway... 

/home/VM/Accelrys/MaterialsStudio43/etc/Gateway/apache/bin/httpd: error while loading shared libraries: libcrypto.so.0.9.8: cannot enable executable stack as shared object requires: Permission denied 

Materials Studio installation has completed.

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1楼2010-11-20 23:35:48

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popeye.cn

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引用回帖:

1966034楼: Originally posted by xx4751 at 2012-05-22 11:15:33
楼主csh命令怎么装？

popeye@popeye-Lenovo$~/MaterialsStudio50/UNIX/installer>csh call_lp_setup.csh
The program 'csh' can be found in the following packages:
* csh
* tcsh
Try: sudo apt-get install

以上的提醒是没有安装csh

以下是安装过程
popeye@popeye-Lenovo$/home>sudo apt-get install csh（回车后输入密码，然后等待自动安装完成）
[sudo] password for popeye:
Reading package lists... Done
Building dependency tree
Reading state information... Done
The following packages were automatically installed and are no longer required:
  linux-headers-3.2.0-29 linux-headers-3.2.0-29-generic-pae
Use 'apt-get autoremove' to remove them.
The following NEW packages will be installed:
  csh
0 upgraded, 1 newly installed, 0 to remove and 0 not upgraded.
Need to get 238 kB of archives.
After this operation, 401 kB of additional disk space will be used.
Get:1 http://run6.hit.edu.cn/ubuntu/ precise/universe csh i386 20110502-2ubuntu1 [238 kB]
Fetched 238 kB in 0s (1,143 kB/s)
Selecting previously unselected package csh.
(Reading database ... 267042 files and directories currently installed.)
Unpacking csh (from .../csh_20110502-2ubuntu1_i386.deb) ...
Processing triggers for doc-base ...
Processing 1 added doc-base file...
Registering documents with scrollkeeper...
Processing triggers for man-db ...
Setting up csh (20110502-2ubuntu1) ...
update-alternatives: using /bin/bsd-csh to provide /bin/csh (csh) in auto mode.
popeye@popeye-Lenovo$/home>lt

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14楼2013-01-12 16:01:39

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souledge

专家顾问 (著名写手)

给自己补充一下，顺便抢个沙发。
一直以来，都是在实体实验的间隙，在Windows下用Materials Studio算点数据，希望能丰富实验的结果，能出好点的论文的（陶瓷那东西，实验不确定因素太多，模拟也不好建模，有时很让人抓狂）。
后来在台机上安装了Red Hat Enterprise Linux 5.5，自然是安装Materials Studio没问题，并且发现在Linux下，MS的效率似乎更高一些。
但是由于RHEL是要收费的，免费的只能盗用CentOS的源，系统混合了不说，很多软件都因为开发包太低，依赖关系太低装不上，上次安装个ffmpeg插件都搞了两天，结果还没弄好（扯远了）。不过Fedora在娱乐上还是很不错的，并且源很丰富，界面也精彩，很适合不太懂Linux的新人使用。
相信这篇帖子是能帮到一部分人的。
当然了，在Fedora和Red Hat下用MS效率有没有差别，就没有测试了~
至于测试Materials Studio 4.3，是因为手头只有4.3和5.0的两个Linux版，5.0太大，VM中硬盘空间不够……但是相信这两个都可以用同样的方法修改安装脚本后进行安装的。

[ Last edited by souledge on 2010-11-20 at 23:50 ]

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2楼2010-11-20 23:42:47

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lbambool

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mazuju028(金币+1):谢谢交流 2010-11-21 10:13:24

RHEL是可以用的，稳定，用于计算的计算机不要频繁更新，一般也不接外网，更新的那些对计算是没有什么意义的，还容易引入其他问题，所以RHEL的更新不是拒绝使用的理由，如果一定要更新的话用CENTOS也是不错的选择。
Fedora更适用于个人版的桌面，应用程序全而新，但对于计算来说，就未必有益了。个人觉得，无论用哪一类系统，稳定是最重要的，不要把时间都花在系统调试和安装上。

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3楼2010-11-21 00:24:21

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