[xcrysden] has anyone compiled xcrysden on AIX ?

[Tone Kokalj]

On Wed, 2013-08-07 at 11:10 -0700, Oliver Albertini wrote:
> Dear Tone, 
> 
> 
> Part of the problem is that I don't have the W2k executables installed
> locally. However, the latest release (13.1) includes a python script
> prepare_xsf_lapw which can calculate the slices and build a *.xsf
> file. Since I am still using 12.1, it required me to compile auxil.f
> and str2xcr.f from xcrysden into an executable and place it into my
> path.

This sounds like you need xcrysden's fortran binaries on your AIX
machine. The compilation of xcrysden's fortran programs should be
straightforward even on AIX:

(i) unpack the xcrysden's source tarball, 
(ii) copy one of system/Make.sys* to Make.sys (e.g., cp system/Make.sys-shared Make.sys), 
(iii) edit Make.sys (i.e. specify the fortran compiler, variable FC)
(iv) run make as:  make src-F

The (iv) will only compile the fortran programs; after compilation they
will be located in bin/ subdirectory.

Regards,

-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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