BSD Portsbiology/psi88 1.0_17 FreeBSD
Plotting wavefunctions (molecular orbitals) in 3D
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Categories
- biology
- Package size
- 63.3 KiB, 201.4 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.
| System | Port | Version | Vulnerabilities | Status | Maintainer | Last update |
|---|---|---|---|---|---|---|
| FreeBSD | biology/psi88 | 1.0_17 newest | none known | - | [email protected] | - |
| DragonFly | biology/psi88 | 1.0_17 newest | none known | - | [email protected] | - |
| HardenedBSD | biology/psi88 | 1.0_17 newest | no data | - | [email protected] | - |
| GhostBSD | biology/psi88 | 1.0_17 newest | no data | - | [email protected] | - |
Install
Binary package:
pkg install psi88From the ports tree:
cd /usr/ports/biology/psi88/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= psi88>0:biology/psi88Packages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | 1.0_17 | 1.0_17 | - | 1.0_17 | 1.0_17 |
| FreeBSD:14:quarterly | 1.0_17 | 1.0_17 | n/a | 1.0_17 | 1.0_17 |
| FreeBSD:15:latest | 1.0_17 | 1.0_17 | n/a | 1.0_17 | 1.0_17 |
| FreeBSD:15:quarterly | 1.0_17 | 1.0_17 | n/a | n/a | n/a |
| FreeBSD:16:latest | 1.0_17 | 1.0_17 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
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
The Makefile names none itself; they come from USES and USE_*.
The full lists below include those, and their dependencies in turn.
Build dependencies 8
Run dependencies 8
No port depends on this one.
Configuration
Options name: biology_psi88
| Option | Default | Description |
|---|---|---|
| DOCS | off | Build and/or install documentation |
| EXAMPLES | off | Build and/or install examples |
- USES
- fortran tar:Z
- 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
Files
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| psi88.tar.Z | 142034 | c3aa19bb5cd2ab33acfb8f2aabb2f97cb47943164bdac3ee90e7badb7848f8c7 |
Master sites 1
- http://www.ccl.net/cca/software/SOURCES/FORTRAN/psi88/
Commit history 0
No commits in the history this site was built from.