BSD Portsscience/cpcmx 1.1.0 DragonFly
Extended conductor-like polarizable continuum solvation model
- System
- DragonFly
- Repository
- DPorts
- Maintainer
- [email protected] (as in FreeBSD)
- License
- LGPL3+
- Categories
- science
- Package size
- 2813.6 KiB, 6356.5 KiB installed
Description
This is an fully Free Software solvation model, based on the original conductor like screening model for realistic solvation (COSMO-RS) model by Klamt et al. in combination with the universal solvation model based on solute electron density (SMD) by Marenich, Cramer and Truhlar.
While there are also parameters in this repository, that are optimized for running this library with ORCA and TURBOMOLE, the published version of this model was built to be run with the semi-empirical GFN2-xTB method. However, the final goal of this project is to deliver a robust Free Software solvation framework, which can be reparametrized for the method of choice.
In the other systems
The newest version among them is 1.1.0, as upstream numbers it.
| System | Port | Version | Vulnerabilities | Status | Maintainer | Last update |
|---|---|---|---|---|---|---|
| DragonFly | science/cpcmx | 1.1.0 newest | none known | - | [email protected] | - |
| FreeBSD | science/cpcmx | 1.1.0 newest | none known | - | [email protected] | - |
| HardenedBSD | science/cpcmx | 1.1.0 newest | no data | - | [email protected] | - |
| GhostBSD | science/cpcmx | 1.1.0 newest | no data | - | [email protected] | - |
Version history 1
- 1.1.0
Upstream's version as each commit to the port's Makefile set it, or as this site first saw it in the system's packages; the tree's own revisions are not versions here.
Install
Binary package:
pkg install cpcmxFrom DPorts:
cd /usr/dports/science/cpcmx && make install cleanDependency 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 6
No port depends on this one.