[Wien] Wien2k installation:siteconfig_lapw

[Gavin Abo]

Regarding 2), I had forgotten that we had a fix for that [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16030.html 
].

Change csh to tcsh by hand in the first line of siteconfig_lapw, or you 
can make the same change with the following patch.

I tested the following WIEN2k 18.2 patch and siteconfig_lapw in Ubuntu 
14.04 works for me again:

username at computername:~/Desktop$ cd $WIENROOT
username at computername:~/WIEN2k$ ./siteconfig
Word too long.
username at computername:~/WIEN2k$ wget 
https://raw.githubusercontent.com/gsabo/WIEN2k-Patches/master/18.2/siteconfig_lapw.patch
...
username at computername:~/WIEN2k$ patch -b siteconfig_lapw 
siteconfig_lapw.patch
patching file siteconfig_lapw
username at computername:~/WIEN2k$ ./siteconfig


***********************************************************************
    *                                WIEN 2k                              *
    *                          site configuration                         *
***********************************************************************

    This is the first time that you install WIEN2k on this computer. Please
    follow the subsequent steps to set up WIEN2k.


You seem to have installed the ifort compiler at:
/opt/intel/composer_xe_2013_sp1.1.106/bin/ia32/ifort
Please remember VERSION and PATH for later reference
Your MKLROOT variable is:
/opt/intel/composer_xe_2013_sp1.1.106/mkl
I could not find your MKL_TARGET_ARCH. You will have to specify it later.

      Press RETURN to continue

On 8/16/2018 10:02 PM, Gavin Abo wrote:
> It looks like you might have two different problems:
>
> 1) tcsh: bad interpreter: No such file or directory <- This usually 
> indicates that tcsh is not installed.
>     - If using Ubuntu, try installing tcsh using: sudo apt install tcsh
>     - If using a different Linux distribution, use a search engine 
> (such as Google) to find out how to install it for your system.
>
> 2) The "word too large" should be because the number of sed commands 
> increased for "alias update_makefiles" in siteconfig. Some systems are 
> not able to handle the alias with the longer string of commands.  For 
> example, it works fine for me when using Ubuntu 18.04.  However, the 
> script fails with the same error using Ubuntu 14.04.  It may be that 
> the string of sed commands in siteconfig_lapw can be broken into two 
> alias commands to get it working again for all systems.  Using Ubuntu 
> 18.04, however, is the solution that I'm using.  I'm transitioning to 
> the newer Linux distributions since BoltzTraP2 needs Python 3.5 or 
> higher [1] which may not be available to install with the package 
> manager in older Linux versions.
>
> [1] 
> https://www.imc.tuwien.ac.at/forschungsbereich_theoretische_chemie/forschungsgruppen/prof_dr_gkh_madsen_theoretical_materials_chemistry/boltztrap2/
>
> On 8/16/2018 5:30 AM, BUSHRA SABIR wrote:
>> Prof Peter Blaha and Gavin abo,
>>
>> i am trying to install wien2k latest version 18.2,
>> while installation i am facing problem.
>>
>> In command
>>
>> ./siteconfig_lapw
>>
>> i face error "word too large"
>>
>> i go through mailing list and find solutions recommended by Gavin abo 
>> to make changes in first line of siteconfig_lapw
>> bushra at bushra-MS-7A70:~/Wien2k_18.2$ sed -n 1p siteconfig_lapw
>> #!/bin/csh -fx
>>
>>
>> bushra at bushra-MS-7A70:~/Wien2k_18.2$ ./siteconfig
>> unalias rm
>> set name = ./siteconfig
>> set bin = .
>> if ! ( -d . ) set bin = .
>> cd .
>> set bin = `pwd`
>> pwd
>> alias define_installdate date >$bin/WIEN2k_INSTALLDATE
>> alias wait echo "";echo "     Press RETURN to continue"; set yn = ($<)
>> Word too long.
>> bushra at bushra-MS-7A70:~/Wien2k_18.2$ ./siteconfig
>>
>>
>> bash: ./siteconfig: /bin/tcsh: bad interpreter: No such file or directory
>>
>> kindly help me to understand this problem
>>
>>
>> Bushra Sabir
>>

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