BSD Ports

science/py-asap3 3.12.8_3 DragonFly

Classical potentials for MD with ASE

System
DragonFly
Repository
DPorts
Maintainer
[email protected] (as in FreeBSD)
License
GPLv3
Categories
python, science
Package size
766.1 KiB, 4141.5 KiB installed

Description

ASAP is a calculator for doing large-scale classical molecular dynamics within the Campos Atomic Simulation Environment (ASE).

In the other systems

SystemPortVersion
DragonFlyscience/py-asap33.12.8_3
FreeBSDscience/py-asap33.13.11_2
GhostBSDscience/py-asap33.13.11_2

Install

Binary package:

pkg install py311-asap3

From DPorts:

cd /usr/dports/science/py-asap3 && make install clean

Dependencies

Run dependencies 4

No port depends on this one.