Thanks for getting back to me.
Geoffrey Hutchison wrote:
First off, did you run “make install” for Open Babel from trunk? This
could be one of your problems.
But I do know that the CMake script needs a bit of work. Right now, it
fails if pkg-config isn’t installed. (This could also be your
problem.) I’d like to do a test using “babel” in the path to get the
version number if pkg-config can’t be found.
So I’d check if you’ve installed the trunk version of babel and I’d
install pkg-config if you don’t have it right now.
Currently I’m trying to keep everything in a sandbox as I’d like to get
up to speed enough to do some development and therefore want to have svn
versions of openbabel and avogadro that I can meddle with without having
to install anything.
I must be misreading your email though, as it sounds like your saying
that I need to install openbabel into the system for this to work?
However, following stuff from other messages on the list I was able to
get the configure to work by setting -DOPENBABEL_MINI_FOUND:BOOL=TRUE
when I ran cmake (this is as well as the -DOPENBABEL2_INCLUDE_DIR and
To get the build to work after the configure (again following the
instructions on the wiki, so I’m doing the build in a separate directory
to the source), I had to edit the files glwidget.cpp and
painterengine.cpp to change the includes at the top of the files as, for
(e.g. painterengine.cpp), they are:
but I needed to change them to:
to get it to compile.
I can now get avogardo to work (and I must say that I really do like the
new layout that you guys have come up with), but I’m hitting problems
trying to use the AutoOptimization tool.
I’m using the following script to start avogadro and point it at the
files it needs:
but, if I try to use the UFF optimiser it complains:
*** Open Babel Error in ParseParamFile
Cannot open UFF.prm
*** Open Babel Error in SetTypes
Cannot open UFF.prm
GhemicalCommand: Could not set up force field on
UFF.prm is sat in: /openbabel/data/
so is there some additional environment variable I need to set for
thisto be found?
If this isn’t the way that I should be running, then I’d appreciate any
tips on how you guys work when you’re developing the code and making
changes to both avogadro and openbabel.