MOPAC (Molecular Orbital PACkage) is a powerful computational chemistry
software that employs semi-empirical quantum chemistry methods to study
molecular and periodic structures. Developed since 1981, it offers a
balance of computational speed and accuracy for a wide range of
applications in chemistry and materials science.
MOPAC implements various semi-empirical models, including AM1, PM3, PM6,
and PM7. It performs geometry optimization, transition-state optimization,
and vibrational analysis. Key features include solvation models (COSMO),
support for periodic boundary conditions, and the unique MOZYME solver
for rapid calculations on large systems, such as biomolecules and
materials. MOPAC also calculates gas-phase thermodynamics, molecular
polarizability, and integrates with numerous graphical user interfaces
and other chemistry software. It supports 83 elements of the periodic table.
*/*: bump PORTREVISION after OpenBLAS upgrade
Remark: this souldn’t be necessary, because the version of the library is the
same, but due to many changes between these releases, it is safer this way.
PR: 284314
Remove WWW entries moved into port Makefiles
Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.
This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.
Approved by: portmgr (tcberner)
Add WWW entries to port Makefiles
It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.
Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.
There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above )
