Saturday, October 7, 2023

Compiling Molden 7.3 from scratch on Ubuntu 22.04

 

etablues (on Reddit) did the heavy lifting on this one with Molden 6.9 and below is the original link.

https://www.reddit.com/r/comp_chem/comments/v7865d/tutorial_compiling_molden_from_source_on_debian/

 

For Molden 7.3 I made a few changes.

1) Two of the packages listed on Molden's site were no longer available on Ubuntu, so no need to install them.

sudo apt-get install libX11-6
sudo apt-get install libX11-dev


2) The addition to FFLAG (-w -fallow-argument-mismatch) is also needed for ./docker/Makefile.


3) ./surf/makefile needs one line changed

@ makedepend $(INCLUDE) -f makedep $(DEPEND)

to

@ $(CC) $(INCLUDE) -M $(DEPEND) > makedep

per this blog: http://verahill.blogspot.com/2012/09/molden-on-debian-testing.html


4) utils/register_extension_gio.sh needs to comment out line:

#sudo cp ~/.local/share/applications/$APP.desktop /usr/share/app-install/desktop/$APP:$APP.desktop

 

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