Re: [Avogadro-devel] Hello GSoC-2016

[Marcus D. Hanwell]

On Mon, Mar 14, 2016 at 10:01 AM, Reinis Danne  wrote:
> Two questions came up (Python binding project).
>
> 1. Is it ok to relay on C++11 compiler? A search showed that
> there was this discussion before and it was decided that it is ok
> to rely on the presence of C++11 compiler. But in the same time
> I saw some recent commits specifically removing reliance on C++11
> features (e.g., auto).

I think C++11 will be OK, when we removed them we hadn't decided to
make C++11 a hard requirement. I think we have good agreement now, but
I need to update the dependencies for Windows at least to build with a
more recent Visual Studio with C++11 support, several of the current
dependencies do not build.
>
> 2. Is tight integration with QML a strict requirement for the
> chosen solution? As far as I can see QML is not used in the
> current codebase. I'm interested in a solution which currently
> doesn't have QML support (might get added sometime later).
>
I don't think it is, personally I would rather see Python support over
QML, but see value in both. I think we are reasonably open to looking
at different proposals in this area.

Best,

Marcus

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Re: [Avogadro-devel] Hello GSoC-2016

[Reinis Danne]

Two questions came up (Python binding project).

1. Is it ok to relay on C++11 compiler? A search showed that
there was this discussion before and it was decided that it is ok
to rely on the presence of C++11 compiler. But in the same time
I saw some recent commits specifically removing reliance on C++11
features (e.g., auto).

2. Is tight integration with QML a strict requirement for the
chosen solution? As far as I can see QML is not used in the
current codebase. I'm interested in a solution which currently
doesn't have QML support (might get added sometime later).


Reinis

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Re: [Avogadro-devel] Hello GSoC-2016

[Marcus D. Hanwell]

On Mon, Mar 7, 2016 at 9:58 AM, Geoffrey Hutchison
 wrote:
>> I'm interested in the project "Python script bindings in Avogadro
>> 2". I see that there is already a boost-python branch for
>> avogadrolibs. Are you already settled on boost-python or are
>> other solutions still considered?
>
> Other solutions are definitely open. Indeed, that’s the key question for this 
> project. There are multiple technologies for scripting bindings in Qt apps, 
> but not all of them are ideal for Avogadro2 (PySide is not updated for Qt5, 
> SWIG, boost.python, and PyQt are also possible.)
>
To add a little more from my side, Qt-based solutions are great, and I
could see a good GSoC project developing them, but Avogadro 2's
libraries are more than just Qt now. I developed the Boost Python
based bindings to serve the needs of a web-based project, where we
needed to use Avogadro 2 API in a headless web server, so Qt, OpenGL,
X, etc were not available.

The requirements for server-based and desktop-based are quite
different, the core APIs can be used in more batch-oriented contexts,
whereas the desktop needs to align more closely with Qt's signal-slot
mechanism, etc.

Marcus

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Re: [Avogadro-devel] Hello GSoC-2016

[Geoffrey Hutchison]

> I'm interested in the project "Python script bindings in Avogadro
> 2". I see that there is already a boost-python branch for
> avogadrolibs. Are you already settled on boost-python or are
> other solutions still considered?

Other solutions are definitely open. Indeed, that’s the key question for this 
project. There are multiple technologies for scripting bindings in Qt apps, but 
not all of them are ideal for Avogadro2 (PySide is not updated for Qt5, SWIG, 
boost.python, and PyQt are also possible.)

A suggestion I’ve made to other students who have expressed interest is to try 
taking a small Qt5 app (e.g., one of the Qt demos) and try adding a scripting 
interface using PyQt or boost.python.

The eventual aim would be to enable a script console in Avogadro2 and Python 
tools, extensions, custom user scripts, etc.

Let me know if I can provide more details.

Best regards,
-Geoff
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