Hey guys, I wanted to check out ghemical on my amd64 box, but it wasn't keyworded, do I added: sci-chemistry/ghemical ~x86 sci-chemistry/mopac7 ~x86 to /etc/portage/package.keywords and it seems to be working fine so far. Here's my entire package.keywords: gnome-base/gnome-light ~amd64 net-p2p/giftcurs ~amd64 net-p2p/gift-fasttrack ~amd64 media-video/mplayer ~amd64 media-video/nvidia-kernel ~amd64 media-video/nvidia-glx ~amd64 sys-cluster/lam-mpi ~amd64 sci-chemistry/pymol ~amd64 sci-biology/clustalx ~amd64 sci-biology/ncbi-tools ~amd64 sci-biology/clustalw ~amd64 app-misc/lirc ~amd64 app-office/openoffice-bin ~amd64 media-tv/ivtv ~amd64 media-tv/mythtv ~amd64 media-plugins/mythvideo ~amd64 media-plugins/mythdvd ~amd64 x11-themes/mythtv-themes ~amd64 app-admin/fam ~amd64 app-admin/gamin ~amd64 net-www/gplflash2 ~amd64 sci-chemistry/chemtool ~amd64 media-tv/nuvexport ~x86 media-video/avidemux ~amd64 media-video/lve ~amd64 media-libs/faad2 ~amd64 media-gfx/splash-themes-gentoo ~amd64 net-p2p/amule ~amd64 x11-libs/wxGTK ~amd64 sci-chemistry/easychem ~amd64 games-strategy/scorched3d ~amd64 sci-chemistry/ghemical ~x86 sci-chemistry/mopac7 ~x86 Thanks, je_fro
Builds fine for me. Molecular mechanics seems to work fine, quantum mechanics segfaults fairly easily (I wasn't able to get this to work at all). Actually, I wasn't even able to figure out how to draw bonds, unless the software is just supposed to figure it out on its own (which I guess being ab-initio might make sense). In any case, I suggest keywording ~amd64 since it is at least 50% functional and fills a void. Perhaps somebody better at P-Chem than me would be able to get it to work better...
(In reply to comment #1) > Perhaps somebody better at P-Chem than me would be able to get it > to work better... Well, then again, probably not. I was able to get things to work reasonably well 32-bit. In any case, still recommend ~amd64 since half of the application works. Perhaps an einfo warning about the quantum mech half of the app not working well would be appropriate...
Yeah, the QM functions segfault here too, but it's useful for geometry optimization and MM and what looks to be a huge potential for file-format interconversion.
segfaulting apps don't work. if you provide a patch to make the app working, feel free to reopen the bug
