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science/numsa: [NEW PORT] Solvent accessible surface area calculation
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Authored by alven on Sun, Nov 2, 12:02 AM.
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Details

Summary

Numerical surface area integrator for molecular inputs. This project
is based on routines from xtb and dftb+.

WWW: https://github.com/grimme-lab/numsa/

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, 12:02 AM
alven created this revision.

Add patch fixing some CMakelists typo

diizzy added inline comments.
science/numsa/Makefile
17

No need to use testing, define TEST_TARGET

19

Approved.

Thanks,
Yuri

This revision is now accepted and ready to land.Mon, Nov 3, 5:43 AM