This discussion has not convinced me to stop using Fortran. FORTRAN66
programs such as SHELX76 still compile and run unchanged with modern
Fortran compilers, though I do use a few useful features introduced in
FORTRAN77 and FORTRAN90 such as character handling and run-time memory
allocation. The resulting executables also tend to be faster than when
Python is used, even when it is used to call routines written in C++.
George
On 06.06.2018 20:54, Robbie Joosten wrote:
Right you are Kay. It would be very weird to start developing things
on Python 2.7 right now. Its days are numbered: https://pythonclock.org/
Cheers,
Robbie
Sent from my Windows 10 phone
------------------------------------------------------------------------
*From:* CCP4 bulletin board <[email protected]> on behalf of Kay
Diederichs <[email protected]>
*Sent:* Wednesday, June 6, 2018 8:47:07 PM
*To:* [email protected]
*Subject:* Re: [ccp4bb] Python3 and MTZ
Dear Nicolas,
my (our) motivation is purely that when learning Python today, and
developing something from scratch, Python3 appears like the better
choice (compared to version 2) - provided that basic crystallographic
libraries can be used.
Just a note (for those whose operating system provides only one of the
two Python flavours): RHEL7 has Python2 as system library, but Python3
can be installed in parallel (using "Software Collections"). The user
makes a choice by setting the PATH variable.
best,
Kay
On Wed, 6 Jun 2018 15:43:16 +0200, Nicolas FOOS <[email protected]>
wrote:
>Dear Kay,
>
>depending of the motivation to develop in python3 (could be due to an OS
>using python3 by default or you really prefer to work with python3). If
>it's due to the OS, a possible strategy is to use virtualenv
>(https://virtualenv.pypa.io/en/stable/) which let you use python2 even
>if python3 is the default version for the OS. It exist probably other
>method to have a contain installation of python2 with all the library
needs.
>
>I used this strategy (virtualenv) to install ccp4 (with the installer
>which needed python2) on a manjaro linux (Arch based) running python3
>and that works very well.
>
>Nicolas
>
>Nicolas Foos
>PhD
>Structural Biology Group
>European Synchrotron Radiation Facility (E.S.R.F)
>71, avenue des Martyrs
>CS 40220
>38043 GRENOBLE Cedex 9
>+33 (0)6 76 88 14 87
>+33 (0)4 76 88 45 19
>
>On 06/06/2018 14:25, Kay Diederichs wrote:
>> Dear all,
>>
>> I haven't tried to read MTZ files from Python until now, but for a new
>> project in my lab I'd like to do that - and with Python3.
>>
>> Googling around, it seems that iotbx from cctbx is not (yet)
>> Python3-compatible.
>>
>> So, what are my options?
>>
>> thanks,
>>
>> Kay
>
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--
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-33021 or +49-5594-227312
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