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Re: [Bkchem-user] bkchem-0.13.0 installation challenges


From: Reinhard Dunkel
Subject: Re: [Bkchem-user] bkchem-0.13.0 installation challenges
Date: Sun, 06 Sep 2009 01:04:33 -0600
User-agent: Thunderbird 2.0.0.22 (X11/20090625)

Noel O'Boyle wrote:
All Linux distributions come with both Python 3.x and Python 2.x. I
suggest you use your distro's Python 2.x rather than compiling it
yourself.

- Noel


The following root commands fixed my CentOS 5.3 problem to start BKChem:
# yum install tcl-devel
# yum install tk-devel
# cd /usr/local/Python-2.6.2/
# make clean
# make
# make install

Noel, the recompilation and reinstallation of Python 2.6.2 is necessary here. Apparently, CentOS 5.3 has the missing _tkinter module bug in their Python 2.x default installation.

- Reinhard

2009/9/4 Beda Kosata <address@hidden>:
Hello Reinhard,

I am sorry that you experience such problems when installing BKChem :(

Reinhard Dunkel wrote:
On Windows XP, the bkchem-0.13.0.exe installer gets me through some
initial screens, but ends with the popup:

Error
---
C:\Program\ Files\BKChem\bkchem.iss
An error occurred while trying to copy a file:
The I/O operation has been aborted because of either a thread
exit or an application request.

I typed 30 times [Retry] in this popup, no effect. Its [Ignore]
seems to apply to individual Python files and only [Abort] works...

I have never seen this before. Do you have access rights to write to the
directory you install? This is the only thing that comes to mind.


On CentOS Linux 2.6.18-128.4.1.el5PAE, the following packages are installed:
# yum install pycairo
   Package pycairo-1.2.0-1.1.i386 already installed and latest version
# yum install tcl
   Package tcl-8.4.13-3.fc6.i386 already installed and latest version
# yum install tk
   Package tk-8.4.13-5.el5_1.1.i386 already installed and latest version

But the BKChem installation fails with
# python3.1 bkchem.py
   File "bkchem.py", line 96
     print messages.no_pmw_text.encode( 'utf-8')
                  ^
SyntaxError: invalid syntax
Yes, BKChem does not yet support Python 3 and above.

# python bkchem.py
Traceback (most recent call last):
   File "bkchem.py", line 106, in <module>
     from main import BKchem
   File "/usr/local/bkchem-0.13.0/bkchem/main.py", line 23, in <module>
     from Tkinter import *
   File "/usr/local/lib/python2.6/lib-tk/Tkinter.py", line 39, in <module>
     import _tkinter # If this fails your Python may not be configured
for Tk
ImportError: No module named _tkinter

Please try to install something like "python-tk" or similar package,
this might fix this problem.

Installing Python-2.6.2 from the source code distribution ends with
"Failed to find the necessary bits to build these modules:
_tkinter           bsddb185           sunaudiodev
To find the necessary bits, look in setup.py in detect_modules() for the
module's name."

According to http://wiki.python.org/moin/TkInter you need to install
devel packages for Tcl and Tk in order to be able to compile Python with
the tkinter module. However, if the above works, you would not need to
compile Python yourself at all.

/usr/local/Python-2.6.2/Modules contains _tkinter.c, but it fails to
install. Could anybody please provide hints how I can get bkchem-0.13.0
to work? I am interested to create 2D coordinates for molecules
available only as their InChI.

Thank you
Reinhard

Please let us know what you find.

       Best regards

               Beda

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--
Reinhard Dunkel, Ph.D.          mailto:address@hidden
9934 S. Pinehurst Dr.           http://www.ScienceSoft.net
Sandy, UT 84092                 Voice & FAX: USA 801-816-0163




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