git: 2d67e54ee38b - main - science/mopac: Improve pkg-descr
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Date: Mon, 29 Sep 2025 07:51:47 UTC
The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=2d67e54ee38b3a05ed4d95420fe21cde03fe39ad
commit 2d67e54ee38b3a05ed4d95420fe21cde03fe39ad
Author: Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2025-09-29 07:42:42 +0000
Commit: Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2025-09-29 07:42:42 +0000
science/mopac: Improve pkg-descr
---
science/mopac/pkg-descr | 16 ++++++++++++++--
1 file changed, 14 insertions(+), 2 deletions(-)
diff --git a/science/mopac/pkg-descr b/science/mopac/pkg-descr
index 18229a7d331d..a510745aeb45 100644
--- a/science/mopac/pkg-descr
+++ b/science/mopac/pkg-descr
@@ -1,2 +1,14 @@
-MOPAC7, semi-empirical (MNDO, AM1, PM3, MINDO/3) quantum-chemical
-calculation written by James J. P. Stewart and co-workers.
+MOPAC (Molecular Orbital PACkage) is a powerful computational chemistry
+software that employs semi-empirical quantum chemistry methods to study
+molecular and periodic structures. Developed since 1981, it offers a
+balance of computational speed and accuracy for a wide range of
+applications in chemistry and materials science.
+
+MOPAC implements various semi-empirical models, including AM1, PM3, PM6,
+and PM7. It performs geometry optimization, transition-state optimization,
+and vibrational analysis. Key features include solvation models (COSMO),
+support for periodic boundary conditions, and the unique MOZYME solver
+for rapid calculations on large systems, such as biomolecules and
+materials. MOPAC also calculates gas-phase thermodynamics, molecular
+polarizability, and integrates with numerous graphical user interfaces
+and other chemistry software. It supports 83 elements of the periodic table.