science/py-asap3 3.13.11_2 FreeBSD

Classical potentials for MD with ASE

System: FreeBSD
Repository: FreeBSD ports
Maintainer: [email protected]
License: GPLv3
Categories: science, python
Package size: 2065.0 KiB, 8138.2 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

System

Port

Version

FreeBSD

science/py-asap3

3.13.11_2

DragonFly

science/py-asap3

3.12.8_3

GhostBSD

science/py-asap3

3.13.11_2

Install

Binary package:

pkg install py312-asap3

From the ports tree:

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

To depend on this port in another port's Makefile:

RUN_DEPENDS=	py312-asap3>0:science/py-asap3

Packages

The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.

Repository

aarch64

amd64

armv6

armv7

i386

FreeBSD:14:latest

3.13.11_2

3.12.8_3

3.13.11_2

FreeBSD:14:quarterly

3.13.11_2

n/a

3.12.8_3

3.13.11_2

FreeBSD:15:latest

3.13.11_2

n/a

3.12.8_3

FreeBSD:15:quarterly

3.13.11_2

n/a

FreeBSD:16:latest

3.13.11_2

n/a

FreeBSD:16:quarterly

n/a

Dependencies

As this port's Makefile names them.

Build 1

${PYTHON_PKGNAMEPREFIX}numpy>=1.16 : math/py-numpy

Library 1

libmpich.so : net/mpich

Runtime 2

${PYTHON_PKGNAMEPREFIX}numpy>=1.16 : math/py-numpy
${PYTHON_PKGNAMEPREFIX}ase>=3.24.0 : science/py-ase

The full lists below include those, and their dependencies in turn.

Build dependencies 28

Run dependencies 90

No port depends on this one.

Configuration

No options to configure.

USES: localbase python
Service scripts: none

Files

distinfo 1

File

Size

SHA256

asap3-3.13.11.tar.gz

1.926229e+06

4f878ce3e77520e92eba9faea8ed4b1a9f4baca40c2a213339ec31284dd3a0d5

Master sites 1

PYPI

Commit history 0

No commits in the history this site was built from.