BSD Ports

science/py-pymbd 0.12.5_2 DragonFly

Many-body dispersion library

System
DragonFly
Repository
DPorts
Maintainer
[email protected] (as in FreeBSD)
License
MPL20
Categories
science
Package size
51.5 KiB, 232.6 KiB installed

Description

Pymbd is Python bindings for Libmbd.

Libmbd implements the many-body dispersion (MBD) method in several programming languages and frameworks:

The Fortran implementation is the reference, most advanced implementation, with support for analytical gradients and distributed parallelism, and additional functionality beyond the MBD method itself. It provides a low-level and a high-level Fortran API, as well as a C API. Furthermore, Python bindings to the C API are provided.

In the other systems

SystemPortVersion
DragonFlyscience/py-pymbd0.12.5_2
FreeBSDscience/py-pymbd0.15.0
HardenedBSDscience/py-pymbd0.15.0
GhostBSDscience/py-pymbd0.15.0

Install

Binary package:

pkg install py311-pymbd

From DPorts:

cd /usr/dports/science/py-pymbd && make install clean

Dependencies

Run dependencies 3

No port depends on this one.