Install CMI on python3

[Long Yang]

Hi Pavol,

I installed Diffpy-CMI on python3 conda environment by conda diffpy/dev channel.

The installation is successful. But when I tried to run script, it gives the srreal package error as below. How to deal with it? I am using linux OS. Thank you very much! 

```

Traceback (most recent call last):

  File "refine_pipeline.py", line 51, in <module>

    niPDF.addStructure("nickel", niStructure)

  File "/home/ly0/anaconda3/envs/pipeline3/lib/python3.6/site-packages/diffpy/srfit/pdf/pdfcontribution.py", line 184, in addStructure

    gen = PDFGenerator(name)

  File "/home/ly0/anaconda3/envs/pipeline3/lib/python3.6/site-packages/diffpy/srfit/pdf/pdfgenerator.py", line 72, in __init__

    from diffpy.srreal.pdfcalculator import PDFCalculator

  File "/home/ly0/anaconda3/envs/pipeline3/lib/python3.6/site-packages/diffpy/srreal/pdfcalculator.py", line 30, in <module>

    from diffpy.srreal.srreal_ext import DebyePDFCalculator

ImportError: libboost_python3.so.1.61.0: cannot open shared object file: No such file or directory

```

[Long Yang]

And I think my computer already have libboost-dev installed `libboost-dev is already the newest version (1.65.1.0ubuntu1).` Would downgrade into 1.61 a possible solution for that?

[Pavol Juhas]

On Wed, Aug 01, 2018 at 09:24:41AM -0700, Long Yang wrote:
> On Wednesday, August 1, 2018 at 12:21:08 PM UTC-4, Long Yang wrote:

...

> > I installed Diffpy-CMI on python3 conda environment by conda diffpy/dev
> > channel.
> >
> > The installation is successful. But when I tried to run script, it gives
> > the srreal package error as below. How to deal with it? I am using linux
> > OS. Thank you very much!
> > ```

...

> > ImportError: libboost_python3.so.1.61.0: cannot open shared object file:
> > No such file or directory
> > ```

Hi Long,

I cannot reproduce this. Please try again with a fresh Anaconda
environment and make sure your .condarc file does not include the
'conda-forge' channel. Some of the diffpy-cmi packages are
on conda-forge, but they are in inconsistent state, because
conda-forge is in a midst of re-building with a different
compiler. At any rate, mixing conda-forge and diffpy/dev
packages is likely to result in failure. Please check the
output of `conda list` and make sure all packages are either
from 'diffpy/dev' or from 'defaults' channel.

> And I think my computer already have libboost-dev installed
> `libboost-dev is already the newest version (1.65.1.0ubuntu1).`
> Would downgrade into 1.61 a possible solution for that?

Nope, conda packages use their own boost library independent
of the Ubuntu system version. They should not load system
boost unless the LD_LIBRARY_PATH environment variable tells
them to do so.

If you still see the problem, let me know your exact Linux
and conda versions and also include the output from `conda list`.

Hope this helps,

Pavol

--
Dr. Pavol Juhas
Computational Science Initiative
Brookhaven National Laboratory
P.O. Box 5000
Upton, NY 11973-5000

[Long Yang]

Hi Pavol,

Your solution works! I deleted the 'conda-forge' channel and reinstall everything in a new environment. Everything is working now. Thanks a lot for your help!

Long

[Simon Billinge]

Thanks Pavol

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