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

[Beda Kosata]

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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