[CP2K:2164] Re: GUI, builders, Mol-mechanics

[Teodoro Laino]

Dear Alexey,

compiling cp2k on cygwin is relatively straightforward.

I would recommend you to install first g95 ( www.g95.org). Then compile 
BLAS/LAPACK
and last cp2k using this arch file:

----
CC       = cc
CPP      = cpp

FC       = g95
LD       = g95

AR       = ar -r

CPPFLAGS = -C -D__G95 -D__FFTSG -traditional
FCFLAGS  = -cpp -O2 -ffast-math
LDFLAGS  = $(FCFLAGS)
LIBS     = /cygdrive/c/Software/libs/lapack-lite-3.1.1/lapack_LINUX_g95.a \
                
/cygdrive/c/Software/libs/lapack-lite-3.1.1/blas_LINUX_g95.a

OBJECTS_ARCHITECTURE = machine_g95.o
----

It should be quite easy.
Teo


agilemolecule wrote:
> Hi,
>
> I was not be able to compile under cygwin.
> Could you be so kind to give the binary file?
>
>
>
>
> On Jul 20, 3:57 pm, Axel <akoh... at gmail.com> wrote:
>   
>> On Jul 19, 4:49 pm, agilemolecule <agilem... at gmail.com> wrote:
>>
>>     
>>> Hi Axel,
>>>       
>>>> are you proposing that _you_ write an interface to cp2k?
>>>>         
>>> Yes. Ascalaph Quantum is an interface to the PC GAMESS. I propose to
>>> write something similar for CP2K myself.
>>>       
>> excellent! best of luck then.
>>
>> cheers,
>>     axel.
>>
>>
>>
>>     
>>> Best wishes,
>>> Alexey
>>>       
> >
>