science/cpcmx: [NEW PORT] Extended conductor-like polarizable continuum solvation model
ClosedPublic
Actions

Authored by alven on Nov 2 2025, 12:49 AM.

Details

Reviewers

db
yuri

Commits

R11:34452b5aae11: science/cpcmx: [NEW PORT] Extended conductor-like polarizable continuum…

Summary

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.

WWW: https://github.com/grimme-lab/CPCM-X/

Test Plan

For every {amd64} × {14.3, 13.5}:

Successful poudriere testport
Successful run-testing

Diff Detail

Repository

R11 FreeBSD ports repository

Lint

No Lint Coverage

Unit

No Test Coverage

Build Status

Buildable 68362
Build 65245: arc lint + arc unit

Event Timeline

alven requested review of this revision.Nov 2 2025, 12:49 AM

alven created this revision.

Harbormaster completed remote builds in B68346: Diff 165661.Nov 2 2025, 12:49 AM

diizzy added a subscriber: diizzy.Nov 2 2025, 1:47 AM

diizzy added inline comments.

science/cpcmx/Makefile
19	Just define TEST_TARGET as that's the only thing that's missing.
21	Use upstream release archive, https://github.com/grimme-lab/CPCM-X/releases/download/v1.1.0/cpx-1.1.0.tar.xz