[chemfp] experimental binary chemfp builds

[Andrew Dalke]

One of the chemfp people on this list reported that it was successful.

I then tried to upload that to PyPI, only to discover that distributing binary libraries for a Linux-based system is far more complicated than I thought.

I learned that the standard way to do that is to use the "manylinux" project, which is based on a Docker image of CentOS 5. This is old enough that most newer versions of Linux-based OSes can use the result.

Unfortunately, the manylinux verification tool doesn't let me link against OpenMP. And I think most people want to build chemfp with OpenMP support.

Which means I will not be distributing pre-compiled binaries through PyPI. I can make some available to download directly, but I haven't been able to find a set of standard platform tags, ... and I don't think anyone would care.

Does anyone here care? The only real difference is a somewhat faster installation time since it can skip the compilation step.


				Andrew
				dalke at dalkescientific.com


> On Apr 7, 2018, at 07:34, Mikko Vainio <mikko.vainio at abo.fi> wrote:
> 
> On 04/06/2018 10:54 PM, Andrew Dalke wrote:
>> Hi all,
>> 
>> I am experimenting with distributing pre-compiled binary builds of chemfp.
>> 
>> I built a Python wheel of chemfp 1.4 using Ubuntu, gcc-6, Python 2.7. I don't know how portable it is, or if I should provide alternate builds.
>> 
>> Could people here try it out and let me know? You can do by uninstalling your current chemfp then doing:
>> 
>>    pip install http://dalkescientific.com/chemfp-1.4-cp27-cp27mu-linux_x86_64.whl
>> 
>> Thanks!
>> 
>> 				Andrew
>> 				dalke at dalkescientific.com
>> 
>> 
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> 
> Installs and simsearch runs as expected on Fedora 27 64-bit.
> 
> /Mikko
>