[Debichem-devel] Update ergo quantum chemistry package to latest version?

[Elias Rudberg]

Hello!

For debian it looks like the ergo package is still only at ergo version
3.5 while there is a version 3.7 available upstream:
http://ergoscf.org/source.php

Version 3.7 includes an implementation of an improved method for
on-the-fly computation of HOMO and LUMO orbitals during purification
procedure (see http://dx.doi.org/10.1021/acs.jctc.7b00968) as well as
some cleanup and bug fixes.
See also: http://dx.doi.org/10.1016/j.softx.2018.03.005

Could the ergo package be updated to version 3.7 for debian?

Best regards
Elias Rudberg








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