Re: [AMBER] NumPy Import Error for MCPB.py on Amber15

From: Hai Nguyen <nhai.qn.gmail.com>
Date: Tue, 7 Jul 2015 20:10:57 -0400

can you try this command: python -c 'import numpy'

if this does not work, you likely need to add numpy dir to PYTHONPATH.

(Jason or others might have better solution).

Hai
On Tue, Jul 7, 2015 at 7:23 PM, Eleftherios A P Lambros <tlambros.uci.edu>
wrote:

> Hello,
>
> I am attempting to run MCPB.py but it cannot find the numpy module. This is
> on a Rocks cluster running CentOS with Python version 2.6.6. We have numpy
> installed on the cluster, but it doesn’t seem to be able to find it. Here
> is the input command and error message..
>
> $ MCPB.py -i TS3.in -s 1a
>
> Traceback (most recent call last):
> File "/home/rayl/amber15-with-patches/bin/MCPB.py", line 46, in <module>
> from mcpb.gene_model_files import get_ms_resnames, gene_model_files
> File
>
> "/home/rayl/amber15-with-patches/lib/python2.6/site-packages/mcpb/gene_model_files.py",
> line 8, in <module>
> from pymsmtmol.cal import calc_bond
> File
>
> "/home/rayl/amber15-with-patches/lib/python2.6/site-packages/pymsmtmol/cal.py",
> line 5, in <module>
> import numpy
> ImportError: No module named numpy
>
> Any help is appreciated.
>
> Regards,
> Eleftherios (Teri) Lambros
> --
> Mathematics, School of Physical Sciences
> Biological Sciences, School of Biological Sciences
> University of California: Irvine
>
> President, Anteaters Mathematics Club
> Advocacy Committee, Biological Sciences Student Council
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> AMBER mailing list
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> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Tue Jul 07 2015 - 17:30:02 PDT
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