{"added":null,"apiVersion":1,"behindSince":null,"buildDepends":[],"categories":["science"],"comment":"Extended conductor-like polarizable continuum solvation model","compare":null,"dependentCount":null,"description":"This is an fully Free Software solvation model, based on the original conductor\nlike screening model for realistic solvation (COSMO-RS) model by Klamt et al. in\ncombination with the universal solvation model based on solute electron density\n(SMD) by Marenich, Cramer and Truhlar.\n\nWhile there are also parameters in this repository, that are optimized for\nrunning this library with ORCA and TURBOMOLE, the published version of this\nmodel was built to be run with the semi-empirical GFN2-xTB method. However, the\nfinal goal of this project is to deliver a robust Free Software solvation\nframework, which can be reparametrized for the method of choice.","flavors":[],"html":"https://daemonports.org/dragonfly/science/cpcmx/","kind":"port","lastUpdate":null,"license":["LGPL3+"],"licenses":["LGPL-3.0-or-later"],"maintainer":"alven@FreeBSD.org","name":"cpcmx","newest":true,"newestVersion":"1.1.0","noVulnData":false,"origin":"science/cpcmx","otherSystems":[{"maintainer":"alven@FreeBSD.org","newest":true,"origin":"science/cpcmx","path":"/science/cpcmx/","system":"FreeBSD","version":"1.1.0"},{"maintainer":"alven@FreeBSD.org","newest":true,"noVulnData":true,"origin":"science/cpcmx","path":"","system":"HardenedBSD","version":"1.1.0"},{"maintainer":"alven@FreeBSD.org","newest":true,"noVulnData":true,"origin":"science/cpcmx","path":"","system":"GhostBSD","version":"1.1.0"}],"packages":null,"pkgName":"cpcmx-1.1.0","related":null,"repository":"DPorts","requiredBy":[],"requiredByCount":0,"runDepends":["lang/gcc12","math/blas","math/lapack","science/mctc-lib","science/numsa","textproc/toml-f"],"status":null,"system":"dragonfly","systemLabel":"DragonFly","version":"1.1.0","versions":[{"date":"2026-11-11","version":"1.1.0"}],"vulnerabilities":null,"www":"https://github.com/grimme-lab/CPCM-X/"}