Avogadro 1.0.1 tagging - Tuesday April 27

On Sunday 02 May 2010 13:47:51 Konstantin Tokarev wrote:

02.05.10, 13:34, “Marcus D. Hanwell” marcus@cryos.org:

On Friday 30 April 2010 14:28:17 Konstantin Tokarev wrote:

I have

also been doing a lot of work with the new external project support
in CMake 2.8, it is probably a better route than the super project
approach to build/package Avogadro with all of its dependencies.
There are even recipes for building Qt and Python.

Out of curiosity, what are the benifits of this approach compared to
simple build invocation from shell script?

The scripting is cross platform (no bash/Windows batch file dep), you
can download source tarballs, and compile them in place. One set of
build files, they can also control the build of things like Qt that do
not use CMake. It allows you to build each dep automatically on the
system using the same compiler/flags etc.

What if I want to use different? E.g., compile boost, Avogadro and OB with
Intel and Python with GCC (there are some problems)

That is possible (just CMake scripting), although often more prone to errors
if multiple C/C++ runtime libraries are linked in, incompatible ABIs etc. This
is all independent of the compiler etc. Also, not sure what the licensing is
in the Intel compiler, and don’t have a license for professional use.

Marcus

What if I want to use different? E.g., compile boost, Avogadro and OB with
Intel and Python with GCC (there are some problems)

That is possible (just CMake scripting), although often more prone to errors
if multiple C/C++ runtime libraries are linked in, incompatible ABIs etc.

It’s fully interoperable with GCC and uses it’s runtime. I’ve tried to use gcc-compiled plugins with icpc-compiled Avogadro, it works. When using icpc, application may link to system libraries (compiled with GCC) without any restrictions.

This
is all independent of the compiler etc. Also, not sure what the licensing is
in the Intel compiler, and don’t have a license for professional use.

It’s free for non-commercial use (open source or freeware - doesn’t matter). But it’s forbidden to sale binaries or provide commercial support.


Regards,
Konstantin