BSD Ports

biology/psi88 1.0_17 DragonFly

Plotting wavefunctions (molecular orbitals) in 3D

System
DragonFly
Repository
DPorts
Maintainer
[email protected] (as in FreeBSD)
Categories
biology
Package size
53.8 KiB, 211.0 KiB installed

Description

PSI/88 Version 1.0 by W. L. Jorgensen & D. L. Severance

To plot wavefunctions in three dimensions from semi-empirical and most popular ab initio basis sets. Valence semi-empirical, STO-3G, 3-21++G(*) and 6-31++G(d,p) basis sets are implemented for atoms H-Ar.

On-line manual is available at this web site.

You can also download the source code of psi88 from the above site as a ``psi88.tar.gz''. When you do ungzip and untar this archive, you will obtain some documents and the ``psi88.tar.Z'' file which is required at this port.

In the other systems

The newest version among them is 1.0, as upstream numbers it.

SystemPortVersionVulnerabilitiesStatusMaintainerLast update
DragonFlybiology/psi881.0_17 newestnone known-[email protected]-
FreeBSDbiology/psi881.0_17 newestnone known-[email protected]-
HardenedBSDbiology/psi881.0_17 newestno data-[email protected]-
GhostBSDbiology/psi881.0_17 newestno data-[email protected]-

Install

Binary package:

pkg install psi88

From DPorts:

cd /usr/dports/biology/psi88 && make install clean

Dependency graph

Ports that need it on the left, what it needs to run on the right; at most 8 of each. "Dependencies" below lists them all.

Dependencies

Run dependencies 1

No port depends on this one.

Related ports

The same software or family in DragonFly: one homepage, or one name but for a version or a variant.

Configuration

No options to configure.

Service scripts
none

Message after installing

===>   NOTICE:

The psi88 port currently does not have a maintainer. As a result, it is
more likely to have unresolved issues, not be up-to-date, or even be removed in
the future. To volunteer to maintain this port, please create an issue at:

https://bugs.freebsd.org/bugzilla

More information about port maintainership is available at:

https://docs.freebsd.org/en/articles/contributing/#ports-contributing