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Ghemical: Molecular modelling - Message forums
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> 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.
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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)
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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
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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 :-)
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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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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 :-)
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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
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> 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.
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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
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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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