[molpro-user] -nocxx option when configuring Molpro installation

[Andy May]

Evgeniy,

I seem to recall Intel 12 (C/C++) is only compatible with gnu headers up 
to 4.5. I think easiest solution is to use gcc instead of icc, i.e. -gcc 
instead of -icc to configure.

If you want Intel 12 to work I think you would have to install an older 
OS, or at least an older gcc and ensure that icc finds the correct 
include files.

Best wishes,

Andy

On 05/06/13 19:31, Evgeniy Gromov wrote:
> Andy,
>
> Thanks for your response. I posted the question because I cannot
> compile Molpro (2012.1) using intel-12, namely the c++ part.
> The problem relates to the c++ headers that comes from gnu
> version 4.7 . I tried to use gnu 4.6 but there is anyway
> some problems, for example:
>
> $(CXX) -c $(CXXFLAGS) -O2 DftiCxx.cpp
>
> ...
>
> /usr/include/c++/4.6/bitset(389): error: identifier "__SIZEOF_LONG__" is
> undefined
>          { return __pos / _GLIBCXX_BITSET_BITS_PER_WORD; }
>                           ^
>
> /usr/include/c++/4.6/bitset(393): error: identifier "__SIZEOF_LONG__" is
> undefined
>          { return (__pos % _GLIBCXX_BITSET_BITS_PER_WORD) / __CHAR_BIT__; }
>
>
>
> Don't you happen to know what one can do in this case.
>
> Regards,
> Evgeniy
>
>
>
>
> Andy May wrote:
>> Evgeniy,
>>
>> The -nocxx option was introduced for 2010.1 where we were still
>> supporting some systems which did not have a C++ compiler, or at least
>> one modern enough for Molpro. If the option is given, any features coded
>> in C++ are not available.
>>
>>  From 2012.1 onwards you need a C++ compiler and the code will fail to
>> link with unresolved references if you give -nocxx option. The option
>> was left in 2012.1 just in case we needed to get the code working on
>> some old system again, but it has been removed in the trunk and will not
>> feature in any new version.
>>
>> Best wishes,
>>
>> Andy
>>
>> On 05/06/13 18:39, Evgeniy Gromov wrote:
>>> Dear Developers and Users of Molpro,
>>>
>>> There is a short question: there is option "-nocxx"
>>> for the configure file that suppresses use of c++ compiler.
>>> I wonder how the c++ part of the code will be then
>>> compiled (or will it be not compiled?)?
>>>
>>> Best regards,
>>> Evgeniy
>>>
>>>
>>> _______________________________________
>>> Dr. Evgeniy Gromov
>>> Theoretische Chemie
>>> Physikalisch-Chemisches Institut
>>> Im Neuenheimer Feld 229
>>> D-69120 Heidelberg
>>> Germany
>>>
>>> Telefon: +49/(0)6221/545263
>>> Fax: +49/(0)6221/545221
>>> E-mail: evgeniy at pci.uni-heidelberg.de
>>> _______________________________________
>>>
>>>
>>>
>>> _______________________________________________
>>> Molpro-user mailing list
>>> Molpro-user at molpro.net
>>> http://www.molpro.net/mailman/listinfo/molpro-user
>> _______________________________________________
>> Molpro-user mailing list
>> Molpro-user at molpro.net
>> http://www.molpro.net/mailman/listinfo/molpro-user
>>
>
>