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science/cpcmx: [NEW PORT] Extended conductor-like polarizable continuum solvation model
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Authored by alven on Sun, Nov 2, 12:49 AM.
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Details

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
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Event Timeline

alven requested review of this revision.Sun, Nov 2, 12:49 AM
alven created this revision.
diizzy added inline comments.
science/cpcmx/Makefile
19

Just define TEST_TARGET as that's the only thing that's missing.

21
science/cpcmx/files/patch-CMakeLists.txt
8

This should be submitted upstream

alven marked 2 inline comments as done.

Fix review issues

science/cpcmx/files/patch-CMakeLists.txt
8

Sorry, I have no GH account.

Approved.

Thanks,
Yuri

science/Makefile
214

Stray line.

This revision is now accepted and ready to land.Mon, Nov 3, 5:44 AM