Molden on debian testing

Update: seems like avogadro and ghemical interface better with gamess than molden does. Will look into that after the weekend. Doesn't mean that there's anything wrong with molden, just that each application has it's own best tools.

Original post:
Nothing beats a good GUI, so after butting heads with gabedit again (and losing - again. Although in this case I think I tried to make it do something it wasn't designed to) I've decided to try Molden.

To download, go here, make sure to be a good citizen and register yourself as a user (will help motivate funding for development) then download: http://www.cmbi.ru.nl/molden/howtoget.html

cd ~/tmp
wget ftp://ftp.cmbi.ru.nl/pub/molgraph/molden/molden5.0.tar.gz
tar xvf molden5.0.tar.gz
cd molden5.0/surf

edit Makefile and change it from

 46 depend: $(DEPEND) 47     @ echo making dependencies... 48     @ echo ' ' > makedep 49     @ makedepend $(INCLUDE) -f makedep $(DEPEND)

to

 46 depend: $(DEPEND) 47     @ echo making dependencies... 48     @ echo ' ' > makedep 49     @ $(CC) $(INCLUDE) -M $(DEPEND) > makedep

Save and go back up one level, and run make:
 cd ../
 make

You're pretty much done.

I like putting things in /opt, so
sudo mkdir /opt/molden
sudo chown $USER /opt/molden
cp ~/tmp/molden5.0/* -R /opt/molden

stick

export PATH=$PATH:/opt/molden

in your ~/.bashrc

Type
molden
to run

---

Error:

If you don't edit the surf/Makefile as shown above you'll get

make[1]: Leaving directory `/home/me/tmp/molden5.0/ambfor'make -C surf dependmake[1]: Entering directory `/home/me/tmp/molden5.0/surf'making dependencies...make[1]: makedepend: Command not foundmake[1]: *** [depend] Error 127make[1]: Leaving directory `/home/me/tmp/molden5.0/surf'