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cannot compile smina in Cygwin

2017-08-03
2017-08-03
  • Hiroshi Nikaido

    Hiroshi Nikaido - 2017-08-03

    I have been trying to compile Smina in Cygwin and I keep getting fatal error message saying openbabel/babelconfig.h: No such file or directory. (1) I removed my current version of Openbabel (2.4.1), and replaced it with version 2.0.0, but no change occurred. (2) I thought maybe I can comment out the lines referring to openbabel in src/main/main.cpp, but this does not work because I get into trouble with src/lib/obmolopener.h line mentioning openlabel/obconversion.h, for instance.
    Could this be because I am using Cygwin64? Your help will be greatly appreciated. Hiroshi

     
  • David Koes

    David Koes - 2017-08-03

    You need to specify the include path to the openbabel install with -I. Not sure that will be enough to compile under cygwin though - never tried it.

     
  • Hiroshi Nikaido

    Hiroshi Nikaido - 2017-08-04

    Thank you very much for so promptly helping me. I have now compiled properly openbabel 2.4.1 in Cygwin and have the path included, so that I do not get the error message mentioned above.
    However, I still get one error concerning openbabel plugin.h, where on line 44 it says {return strcascomp(p1,p2)<0}, that the string case comparison function strcascomp is not declared in this scope. "make" did not say that compilation was stopped, but apparently it did because I see nothing in the /usr/local directory. I would be extremely grateful if you could tell me how I could get out of this mess. Regards, Hiroshi

     
  • Hiroshi Nikaido

    Hiroshi Nikaido - 2017-08-07

    Thank you again. The "strcasecomp" problem was solved by the suggestion there. But now the compiler is complaining about "@" in plugin.h (from line 37). Googling taught me that "@" is not allowed in C. Could you tell me what to do? The offending area of plugin.h reads as follows.
    namespace OpenBabel
    {
    /@addtogroup plugins Plugins
    /@{

    / @brief Case insensitive string comparison for Plugin Typekey
    struct OBERROR etc.
    My apologies for taking up your time!! Hiroshi

     
  • David Koes

    David Koes - 2017-08-07

    Looking at the source on github (https://github.com/openbabel/openbabel/blob/master/include/openbabel/plugin.h) those are all lines that should be commented out (there should be more than one slash).

     
  • Hiroshi Nikaido

    Hiroshi Nikaido - 2017-08-07

    Thank you. After commentng out these lines, there was still the old strcascomp problem now in plugin.h. This was surprising because at the top there was there was the #include <string.h> line. However, I finally solved it by changing <string.h> to <strings.h>. The compilation went to completion, although there were lots of minor complaints (notes), "deprecating" certain items.
    However, I still cannot find the compiled smina program. Where should I look?
    Please pardon my ignorance. Hiroshi

     
  • David Koes

    David Koes - 2017-08-08

    It should be in the build directory with the makefile, e.g. smina/build/linux/release

     
  • Hiroshi Nikaido

    Hiroshi Nikaido - 2017-08-08

    Dear Dr. Koes,
    Indeed there are all these compiled .o files, but I don't know what I should do next. There is no "Install" information in the Makefile, and thus install or install smina does not work. Hiroshi

     
  • David Koes

    David Koes - 2017-08-09

    If there is no smina binary, then it did not successfully compile. Perhaps look more carefully for an error message?

     

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