Hi, I went through top-level directories of cctbx and discovered the following: compcomm - two papers from IUCr computational crystallography authored by Ralf with some scripts. These scripts are referenced in these papers. One paper in LaTeX by Luc Bourhis "Small-molecule toolbox". dox - probably was meant as documentation, actually contains some documentation in RST, Ralf's talks from Siena, 2005, some tutorial in LaTeX, the content for the cctbx website. fftw3tbx - probably is not used anywhere ipctbx - most likely is not used anywhere, wrapper for sys/ipc.h - C library for interprocess communication access structure. rpmbuild - not sure whether it is still needed/working, last change to the only file was on 7-29-2009. setup - not clear whether the only .sh script in this directory is still needed/working. I suggest to move compcomm to dox despite the reference in 2009 paper and remove fftw3tbx, ipctbx, rpmbuild, setup if nobody has an idea why they should stay where they are/be moved somewhere. Best regards, Oleg Sobolev.
fftw3tbx - probably is not used anywhere
It is used in scitbx/fftpack/timing/eval_times.py to compare with the speed of scitbx.fftpack. Ralf wanted to see how much faster the highly optimised FFTW was. Not enough to implement a mechanism to easily swap fftpack for FFTW though but it has been years that eval_times has not been run. However I would not be surprised that the script provided by fftw3tbx to install FFTW from source does not work out of the box anymore. So anyway, yes, I think it can go.
dox - probably was meant as documentation, actually contains some documentation in RST, Ralf's talks from Siena, 2005, some tutorial in LaTeX, the content for the cctbx website.
It contains the code to run doxygen and produce HTML pages documenting the C++ code.
I suggest to move compcomm to dox despite the reference in 2009 paper
Why not. Best wishes, Luc
Hi,
As promised, I removed ipctbx, rpmbuild, setup from cctbx. compcomm module
was moved to dox.
I believe that they could be restored if necessary.
Best regards,
Oleg Sobolev.
On Thu, Sep 17, 2015 at 2:12 PM, Luc Bourhis
fftw3tbx - probably is not used anywhere
It is used in scitbx/fftpack/timing/eval_times.py to compare with the speed of scitbx.fftpack. Ralf wanted to see how much faster the highly optimised FFTW was. Not enough to implement a mechanism to easily swap fftpack for FFTW though but it has been years that eval_times has not been run. However I would not be surprised that the script provided by fftw3tbx to install FFTW from source does not work out of the box anymore.
So anyway, yes, I think it can go.
dox - probably was meant as documentation, actually contains some documentation in RST, Ralf's talks from Siena, 2005, some tutorial in LaTeX, the content for the cctbx website.
It contains the code to run doxygen and produce HTML pages documenting the C++ code.
I suggest to move compcomm to dox despite the reference in 2009 paper
Why not.
Best wishes,
Luc
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Thanks Oleg!
On Oct 16, 2015, at 9:25 PM, Oleg Sobolev
wrote: Hi,
As promised, I removed ipctbx, rpmbuild, setup from cctbx. compcomm module was moved to dox.
I believe that they could be restored if necessary.
Best regards, Oleg Sobolev.
On Thu, Sep 17, 2015 at 2:12 PM, Luc Bourhis
wrote: fftw3tbx - probably is not used anywhere
It is used in scitbx/fftpack/timing/eval_times.py to compare with the speed of scitbx.fftpack. Ralf wanted to see how much faster the highly optimised FFTW was. Not enough to implement a mechanism to easily swap fftpack for FFTW though but it has been years that eval_times has not been run. However I would not be surprised that the script provided by fftw3tbx to install FFTW from source does not work out of the box anymore.
So anyway, yes, I think it can go.
dox - probably was meant as documentation, actually contains some documentation in RST, Ralf's talks from Siena, 2005, some tutorial in LaTeX, the content for the cctbx website.
It contains the code to run doxygen and produce HTML pages documenting the C++ code.
I suggest to move compcomm to dox despite the reference in 2009 paper
Why not.
Best wishes,
Luc
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participants (3)
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Luc Bourhis
-
Oleg Sobolev
-
Paul Adams