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Building openbabel with Intel compilers

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Building openbabel with Intel compilers

Maik Schmidt
Hi,

I'm trying to build openbabel 2.3.2 with the latest Intel Compilers
(16.0.3). So far, I've run into two problems:

1) in include/openbabel/shared_ptr.h the following line throws an error:
    using std::tr1::shared_ptr
That's probably because with current compilers, the use of TR1 here is a
bit dated, and shared_ptr is just in std now. I could fix this manually
by changing it to std::shared_ptr and compiling with "-std=c++11".

2) now I'm getting another error:

openbabel-2.3.2/src/ops/sort.cpp(117): error: no instance of function
template "std::make_pair" matches the argument list
             argument types are: (OpenBabel::OBBase *, double)
         valvec.push_back(std::make_pair<OBBase*,double>(*iter,
_pDesc->Predict(*iter, &_pDescOption)));
                          ^

openbabel-2.3.2/src/ops/sort.cpp(147): error: no instance of function
template "std::make_pair" matches the argument list
             argument types are: (OpenBabel::OBBase *, std::__cxx11::string)
valvec.push_back(std::make_pair<OBBase*,std::string>(*iter, s));
                          ^

I have no idea why this is happening and how to fix it. Any help would
be much appreciated.

Thank you in advance.

--
Maik Schmidt

Technische Universität Dresden
Zentrum für Informationsdienste und Hochleistungsrechnen (ZIH)
Willers-Bau A116
D-01062 Dresden
Telefon: +49 351 463-32836



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Re: Building openbabel with Intel compilers

Noel O'Boyle
Administrator
Could you try the development version? We have changed how shared_ptr
is handled, and if necessary can add in a #define for intel compiler.

- Noel

On 9 June 2016 at 10:06, Maik Schmidt <[hidden email]> wrote:

> Hi,
>
> I'm trying to build openbabel 2.3.2 with the latest Intel Compilers
> (16.0.3). So far, I've run into two problems:
>
> 1) in include/openbabel/shared_ptr.h the following line throws an error:
>    using std::tr1::shared_ptr
> That's probably because with current compilers, the use of TR1 here is a bit
> dated, and shared_ptr is just in std now. I could fix this manually by
> changing it to std::shared_ptr and compiling with "-std=c++11".
>
> 2) now I'm getting another error:
>
> openbabel-2.3.2/src/ops/sort.cpp(117): error: no instance of function
> template "std::make_pair" matches the argument list
>             argument types are: (OpenBabel::OBBase *, double)
>         valvec.push_back(std::make_pair<OBBase*,double>(*iter,
> _pDesc->Predict(*iter, &_pDescOption)));
>                          ^
>
> openbabel-2.3.2/src/ops/sort.cpp(147): error: no instance of function
> template "std::make_pair" matches the argument list
>             argument types are: (OpenBabel::OBBase *, std::__cxx11::string)
> valvec.push_back(std::make_pair<OBBase*,std::string>(*iter, s));
>                          ^
>
> I have no idea why this is happening and how to fix it. Any help would be
> much appreciated.
>
> Thank you in advance.
>
> --
> Maik Schmidt
>
> Technische Universität Dresden
> Zentrum für Informationsdienste und Hochleistungsrechnen (ZIH)
> Willers-Bau A116
> D-01062 Dresden
> Telefon: +49 351 463-32836
>
>
>
> ------------------------------------------------------------------------------
> What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
> patterns at an interface-level. Reveals which users, apps, and protocols are
> consuming the most bandwidth. Provides multi-vendor support for NetFlow,
> J-Flow, sFlow and other flows. Make informed decisions using capacity
> planning reports. https://ad.doubleclick.net/ddm/clk/305295220;132659582;e
> _______________________________________________
> OpenBabel-Devel mailing list
> [hidden email]
> https://lists.sourceforge.net/lists/listinfo/openbabel-devel
>

------------------------------------------------------------------------------
What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic
patterns at an interface-level. Reveals which users, apps, and protocols are
consuming the most bandwidth. Provides multi-vendor support for NetFlow,
J-Flow, sFlow and other flows. Make informed decisions using capacity
planning reports. https://ad.doubleclick.net/ddm/clk/305295220;132659582;e
_______________________________________________
OpenBabel-Devel mailing list
[hidden email]
https://lists.sourceforge.net/lists/listinfo/openbabel-devel
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