science/q 6.0_2 FreeBSD

Molecular Dynamics (MD) tools

System: FreeBSD
Repository: FreeBSD ports
Maintainer: [email protected]
Last update: 2026-07-20
Commit: 985792858c
License: GPLv2+
Categories: science
Package size: 1292.8 KiB, 8254.6 KiB installed

Description

Q is a set of Molecular Dynamics (MD) tools tailored to the following specific kinds of free energy calculations:

Free Energy Perturbation (FEP)
Empirical Valence Bond (EVB)
Linear Interaction Energies (LIE)
Quantum Classical Path (QCP)

In the other systems

System

Port

Version

FreeBSD

science/q

6.0_2

DragonFly

science/q

6.0_1

Install

Binary package:

pkg install q

From the ports tree:

cd /usr/ports/science/q/ && make install clean

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

RUN_DEPENDS=	q>0:science/q

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

6.0_2

6.0_1

6.0_2

FreeBSD:14:quarterly

6.0_2

n/a

6.0_1

6.0_2

FreeBSD:15:latest

6.0_2

n/a

6.0_1

FreeBSD:15:quarterly

6.0_2

n/a

FreeBSD:16:latest

6.0_2

n/a

FreeBSD:16:quarterly

n/a

Dependencies

The Makefile names none itself; they come from USES and USE_*.

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

Build dependencies 10

Run dependencies 8

No port depends on this one.

Configuration

No options to configure.

USES: fortran:gfortran gmake
Service scripts: none

Files

distinfo 1

File

Size

SHA256

qusers-Q6-v6.0_GH0.tar.gz

1.0608832e+07

7d83af06484eb85583620d0791bca7c14e7e34bf380ee1ce27ec7eeab6a01245

Commit history 1

Date Commit Credits Log message

2026-07-20

985792858c

Yuri Victorovich

science/q: Fix build with GCC 15 on 16

PR: 293339 Reported by: Lorenzo Salvadore <[email protected]>