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  • Ghemical: Molecular modelling - Message forums

    Discussion forums: Open Discussion

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    building ghemical with gcc 3.0.1 ?
    Submitted by Nobody; posted on Monday, August 27, 2001
    Yes, you definitely need f2c libs and headers now because the MOPAC7 stuff is included. Today I was able to compile the CVS version with the RedHat 7.1 compiler (one of those "doped" 2.96 compilers). So why hurry to gcc-3 anyway? :-) TH (anon because I just forgot to login)



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    building ghemical with gcc 3.0.1 ?
    Submitted by Nobody; posted on Saturday, August 25, 2001
    Hi there, I'm having troubles building ghemical with the gcc 3.0.1 (I could be more verbose on the type of error, but I would just like to make sure that someone _has_ been building ghemical whit this version of gcc. Thanks in advance and sorry to post anonymously -- jose (venceslau@mailandnews.com)
    building ghemical with gcc 3.0.1 ?
    Submitted by Tommi Hassinen; posted on Sunday, August 26, 2001
    Hi, I tried it some time ago with gcc-3.0.0, and there were some problems. I don't remember if it finally worked or not, but at least I added those using namespace std; lines here and there, so please at least use the CVS version if you try gcc-3. gcc-2.96.2 has worked for me so far... TH
    building ghemical with gcc 3.0.1 ?
    Submitted by Jose Venceslau; posted on Sunday, August 26, 2001
    I've gotten the cvs, but the problem remains, in parsmart.cpp in oelib. I've commented the ofending function (yes, I will get back to it to figure what is wrong with it, but my years of cpp are long gone :-) and I'm proceding in the compilation just to check what other tools/libs are needed. I've fetched the fortran to c header files (f2c.h needed in src/common), but now I'm having problems in src/graphics now. So, it has been a bumpy but nice ride :-)
    building ghemical with gcc 3.0.1 ?
    Submitted by Nobody; posted on Monday, August 27, 2001
    Yes, you definitely need f2c libs and headers now because the MOPAC7 stuff is included. Today I was able to compile the CVS version with the RedHat 7.1 compiler (one of those "doped" 2.96 compilers). So why hurry to gcc-3 anyway? :-) TH (anon because I just forgot to login)
    building ghemical with gcc 3.0.1 ?
    Submitted by Jose Venceslau; posted on Monday, August 27, 2001
    ghemical build with(sort off ;-) weel, after some tweaking (changing -mpentium to -march=pentium in makefiles, removing -I/usr/include from makefiles because it drives gcc #next_include mad and some other incantations that I cant no longer remember, I've built ghemical and it even runs) Well, not for long, cause it takes just a bit of fussing for it to dump core :-) I had to comment a funtion in oelib/parsmart.cpp in order to compile and it must be driving the rest of the code nuts :-) [yes, I know that it's not The Right Way to compile and I do understand the impications of such a stupid fix :-)] I had gcc 2.9.1.something on my system and some app told me it needed gcc > 2.9.5, so I just tought, what the weck, lets go for the bledding edge - ouch, it's hurting :^) So, I'm im reading on STL,doing some mumbo jumbo to parsmart.cpp whenever I've a free time. (no, I will not ask a friend to build it for me nor will I downgrade my super-sharp ginksu gcc :-)
    building ghemical with gcc 3.0.1 ?
    Submitted by Tommi Hassinen; posted on Tuesday, August 28, 2001
    Ok. :-) We will try gcc-3 more seriously after it has become a bit more mainstream than today (read: debian and/or redhat uses it). BTW, at the moment file import/export and "add hydrogens" use OELib code; so if there are problems also with other features than these you have hit with an another problem... TH
    building ghemical with gcc 3.0.1 ?
    Submitted by Nobody; posted on Tuesday, October 16, 2001
    > We will try gcc-3 more seriously after it has become a bit more mainstream than today (read: debian and/or redhat uses it). FYI: Debian uses gcc-3 already on ia-64 at least.
    building ghemical with gcc 3.0.1 ?
    Submitted by Geoff Hutchison; posted on Tuesday, November 13, 2001
    Submitter The catch is that while the Ghemical code seems to be fine with gcc3, the OELib code for file import/export and other functions is not. I'm working with the OELib developers to get a new version of OELib, hopefully "Real Soon Now." -Geoff
    building ghemical with gcc 3.0.1 ?
    Submitted by Nobody; posted on Tuesday, November 20, 2001
    Good to know. I asked the oelib developer about it and he told me he was doing a closed source rewrite of it, pointing out that open-oelib won't be developped much in the future. Do you know anything about this? Michael

     

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