OpenBabel is now a prerequisite for app-sci/xdrawchem, therefore it should be included in Gentoo. See also bug #28533. From their homepage: Open Babel is a project designed to pick up where Babel left off, as a cross-platform program and library designed to interconvert between many file formats used in molecular modeling and computational chemistry.
Created attachment 17580 [details] ebuild for openbabel-1.100.1
the doc folder is not installed... ---------------%>--------------- make[1]: Leaving directory `/var/tmp/portage/openbabel-1.100.1/work/openbabel-1.100.1/test' Making all in doc make[1]: Entering directory `/var/tmp/portage/openbabel-1.100.1/work/openbabel-1.100.1/doc' make[1]: Nothing to be done for `all'. make[1]: Leaving directory `/var/tmp/portage/openbabel-1.100.1/work/openbabel-1.100.1/doc' ---------------%>--------------- should go into /usr/share/doc/openbabel i'd say...its a pitty to loose the nice povray rendering ;(
Hermann, could you please commit a new version which includes the docs?
Created attachment 18124 [details] ebuild now takes care of docs
sorry folks - i didnt notice this one on the first look: if povray is installed the file 'docs/babel31.inc' should be moved to '/usr/share/povray-3.5/include/' because in the povray example (dioxin.inc) this file is a required *povray-include* and povray likes to have them in this folder. i dont know how to handle this properly - the configure/install process of openbabel doesnt care about the file and there is no useflag for povray. on the other hand i dont think that it is so important to make povray a dependency, so perhaps its better to just forget it. perhaps the easiest solution would be a einfo: "If you want to use openbabel with povray you have to move /usr/share/doc/openabel/babel31.inc to /usr/share/povray-3.5/include/" i noticed some warnings when i toyed around with that file, seems that it was written for povray-3.1 and a patch may be needed to get it to work out of the box. and at least magnesium is missing in the atoms definitions. the cvs contains the same version of the file. if i can spare the time i can try to patch it, but i dont know pov and dont have much time, so even if i am able to do it, it could take a while...
Done. Did a few changes, please have a look at the ebuild.
