[Wien] octave3

[Laurence Marks]

Instead of editing the source, I think you can just try

alias tcsh=csh

In .bashrc or some variant of this such as a link from $WIENROOT/tcsh to
wherever csh is on your system. This would catch all tcsh references.

___________________________
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
MURI4D.numis.northwestern.edu
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
On Sep 24, 2014 7:03 AM, "Peter Blaha" <pblaha at theochem.tuwien.ac.at> wrote:

> Apparently you have installed a csh (needed for all our *_lapw scripts),
> but not a tcsh.
> In most modern systems these are anyway the same.
>
> Solutions:
> a) Install a tcsh on your system
>
> b) fix the source code:
>
> In $WIENROOT/SRC_structeditor/bin
>
> search for all lines with "tcsh":
>
>       grep tcsh *.m
>
> It gives a list where tcsh occurs:
>
> savestruct.m:            system("tcsh -c 'xncm ncmsymmetry -f tmpsave
> -nomm >&  error.ncmsym' ");
> showstruct.m:#      system("tcsh -c 'struct2dx -nomm -new -f s >&
> error.struct2dx'", 1 , "async");
> showstruct.m:      system("tcsh -c 'xcrysden --wien_struct s.struct >&
> error.xcrysden'", 1);
> showstruct.m:#      system("tcsh -c 'xcrysden --wien_struct s.struct >&
> error.xcrysden'", 1 , "async");
> showstruct.m:#      system("tcsh -c 'VESTA $PWD/s.struct >&
> error.VESTA'", 1 , "async");
> s
>
> You can ignore the commented lines, but need to edit
>
> savestruct.m and showstruct.m
>
> and replace   tcsh by csh
>
> Please let me know if it works.
> I'll probably modify the sources for the next release.
>
> Regards
>
> On 09/24/2014 12:15 PM, John Rundgren wrote:
> > Dear WIEN2k team,
> >
> > Problem with octave sshift:
> >  >t1=loadstruct("GaAs.struct")
> >  >t2=makeconventional(t1)
> >  >t3=sshift(t2,1,[0.0 0.0 0.1])
> >
> > sshift makes no operation and t3=t2. The full content of t2 and t3 are
> > written out on the screen, so t3=t2 is easily seen.
> >
> > On the screen a diagnosis appears:
> > octave:4> t3=sshift(t2,1,[0.0 0.0 0.1])
> > sh: 1: tcsh: not found
> > cp: cannot stat ‘tmpsave.struct_ncmsym’: No such file or directory
> > sh: 1: tcsh: not found
> > cp: cannot stat ‘tmpsave.struct_ncmsym’: No such file or directory
> > smultatom:  no spgroup specified, sym. op. are generated
> > showequivalent:  no spgroup specified, sym. op. are generated
> > warning: showequivalent: some elements in list of return values are
> > undefined
> >
> > My WIEN2k is successfully installed with .bashrc.
> > How can one get sshift going?
> > Regards,
> > John Rundgren
> >
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
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>
> --
>
>                                        P.Blaha
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
> Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
> WWW:   http://www.imc.tuwien.ac.at/staff/tc_group_e.php
> --------------------------------------------------------------------------
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