#4 << PyCifRW problem >>

[Anonymous]

Hello,

First: great job!

The adding PyCifRW site is not working, so I can not install CIF2Cell.

It could be possible that you transfer/copy some of the file project from PyCifRW to your CIF2Cell in order to install/run it?

Thank in advance.

Hatuey

[Torbjörn Björkman]

Hello Hatuey,

PyCifRW comes with the package these days, and also be installed
automatically if it is not there. Just run the installer and everything
should go automatically. I realize now that I must have forgotten to remove
the PyCifRW step from the installation instructions... doh! My apologies.

Lots of bonus points for carefully following all available instructions
before complaining that it doesn't work. Well done!

Best,
Torbjörn

2015-04-17 23:00 GMT+03:00 Ticket 4 <4@feature-requests.cif2cell.p.re.sf.net

:

---

• [feature-requests:#4]
  http://sourceforge.net/p/cif2cell/feature-requests/4 << PyCifRW problem

  *

Status: open
Group: Next_Release_(example)
Created: Fri Apr 17, 2015 08:00 PM UTC by Anonymous
Last Updated: Fri Apr 17, 2015 08:00 PM UTC
Owner: nobody

Hello,

First: great job!

The adding PyCifRW site is not working, so I can not install CIF2Cell.

It could be possible that you transfer/copy some of the file project from
PyCifRW to your CIF2Cell in order to install/run it?

Thank in advance.

Hatuey

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Torbjörn Björkman

[Anonymous]

Hello Torbjörn,

Sorry for my complain.

I did the following steps (as root in OpenSUSE 13.2 box):
- tar -xvf cif2cell-1.2.2.tar.gz
- cd cif2cell-1.2.2/
- python setup.py install --prefix=/software/cif2cell

Bellow is the installation output.

Then when, I run cif2cell, I got:

cif2cell structure1_shelx.cif --program=siesta
Traceback (most recent call last):
File "/software/cif2cell/bin/cif2cell", line 35, in <module>
import CifFile
ImportError: No module named CifFile

That, looking here, indicate a lack of PyCifRW.

Thank you very much!

Installation output:
PyCifRW not found. Installing relevant modules.
running install
running build
running build_py
copying CifFile.py -> build/lib
copying StarFile.py -> build/lib
copying YappsStarParser_1_0.py -> build/lib
copying YappsStarParser_1_1.py -> build/lib
copying YappsStarParser_DDLm.py -> build/lib
copying yapps3_compiled_rt.py -> build/lib
running build_scripts
running install_lib
copying build/lib/yapps3_compiled_rt.py -> /software/cif2cell/lib/python2.7/site-packages
copying build/lib/StarFile.py -> /software/cif2cell/lib/python2.7/site-packages
copying build/lib/YappsStarParser_1_1.py -> /software/cif2cell/lib/python2.7/site-packages
copying build/lib/YappsStarParser_1_0.py -> /software/cif2cell/lib/python2.7/site-packages
copying build/lib/YappsStarParser_DDLm.py -> /software/cif2cell/lib/python2.7/site-packages
copying build/lib/CifFile.py -> /software/cif2cell/lib/python2.7/site-packages
byte-compiling /software/cif2cell/lib/python2.7/site-packages/yapps3_compiled_rt.py to yapps3_compiled_rt.pyc
byte-compiling /software/cif2cell/lib/python2.7/site-packages/StarFile.py to StarFile.pyc
byte-compiling /software/cif2cell/lib/python2.7/site-packages/YappsStarParser_1_1.py to YappsStarParser_1_1.pyc
byte-compiling /software/cif2cell/lib/python2.7/site-packages/YappsStarParser_1_0.py to YappsStarParser_1_0.pyc
byte-compiling /software/cif2cell/lib/python2.7/site-packages/YappsStarParser_DDLm.py to YappsStarParser_DDLm.p$
byte-compiling /software/cif2cell/lib/python2.7/site-packages/CifFile.py to CifFile.pyc
running install_scripts
changing mode of /software/cif2cell/bin/cif2cell to 755
running install_data
running install_egg_info
Removing /software/cif2cell/lib/python2.7/site-packages/cif2cell-1.2.2-py2.7.egg-info
Writing /software/cif2cell/lib/python2.7/site-packages/cif2cell-1.2.2-py2.7.egg-info

[Anonymous]

Hellow Torbjörn,

I follow the steps bellow to install CIF2Cell (as root in a OpenSUSE 13.2 box)

• tar -xvf cif2cell-1.2.2.tar.gz
• cd cif2cell-1.2.2
• python setup.py install --prefix=/software/cif2cell

The output is bellow.

Then I used:

cif2cell structure1_shelx.cif --program=siesta

and got the following message:

Traceback (most recent call last):
File "/software/cif2cell/bin/cif2cell", line 35, in <module>
import CifFile
ImportError: No module named CifFile

That from this forum I found that is related to the lack of PyCifRW.

Now, I downloaded two versions of PyCifRW:
From Sourceforge: PyCifRW-3.3-py2.5-linux-i686.egg
From PyCifRW: PyCifRW-3.6.2.1.tar.gz

After installing the second one, and running CIF2Cell again, I got:

Traceback (most recent call last):
File "/software/cif2cell/bin/cif2cell", line 37, in <module>
from utils import *
ImportError: No module named utils

Now, I installed CIF2Cell to its default location and now it is working!

Thank you very much.

PyCifRW not found. Installing relevant modules.
running install
running build
running build_py
copying CifFile.py -> build/lib
copying StarFile.py -> build/lib
copying YappsStarParser_1_0.py -> build/lib
copying YappsStarParser_1_1.py -> build/lib
copying YappsStarParser_DDLm.py -> build/lib
copying yapps3_compiled_rt.py -> build/lib
running build_scripts
running install_lib
copying build/lib/yapps3_compiled_rt.py -> /software/cif2cell/lib/python2.7/site-packages
copying build/lib/StarFile.py -> /software/cif2cell/lib/python2.7/site-packages
copying build/lib/YappsStarParser_1_1.py -> /software/cif2cell/lib/python2.7/site-packages
copying build/lib/YappsStarParser_1_0.py -> /software/cif2cell/lib/python2.7/site-packages
copying build/lib/YappsStarParser_DDLm.py -> /software/cif2cell/lib/python2.7/site-packages
copying build/lib/CifFile.py -> /software/cif2cell/lib/python2.7/site-packages
byte-compiling /software/cif2cell/lib/python2.7/site-packages/yapps3_compiled_rt.py to yapps3_compiled_rt.pyc
byte-compiling /software/cif2cell/lib/python2.7/site-packages/StarFile.py to StarFile.pyc
byte-compiling /software/cif2cell/lib/python2.7/site-packages/YappsStarParser_1_1.py to YappsStarParser_1_1.pyc
byte-compiling /software/cif2cell/lib/python2.7/site-packages/YappsStarParser_1_0.py to YappsStarParser_1_0.pyc
byte-compiling /software/cif2cell/lib/python2.7/site-packages/YappsStarParser_DDLm.py to YappsStarParser_DDLm.p$
byte-compiling /software/cif2cell/lib/python2.7/site-packages/CifFile.py to CifFile.pyc
running install_scripts
changing mode of /software/cif2cell/bin/cif2cell to 755
running install_data
running install_egg_info
Removing /software/cif2cell/lib/python2.7/site-packages/cif2cell-1.2.2-py2.7.egg-info
Writing /software/cif2cell/lib/python2.7/site-packages/cif2cell-1.2.2-py2.7.egg-info