science/py-MDAnalysis 2.10.0_4 FreeBSD

Python library to analyze molecular dynamics trajectories

System: FreeBSD
Repository: FreeBSD ports
Maintainer: [email protected]
Last update: 2026-10-18
Commit: 99fef1bf6f
License: GPLv2
Categories: science, python
Package size: 2338.6 KiB, 27475.9 KiB installed

Description

MDAnalysis is an object-oriented Python library to analyze trajectories from molecular dynamics (MD) simulations in many popular formats. It can write most of these formats, too, together with atom selections suitable for visualization or native analysis tools.

Install

Binary package:

pkg install py312-MDAnalysis

From the ports tree:

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

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

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

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

2.10.0_3

2.7.0_1

2.10.0_4

FreeBSD:14:quarterly

2.10.0_3

n/a

2.7.0_1

2.10.0_3

FreeBSD:15:latest

2.10.0_3

2.10.0_4

n/a

FreeBSD:15:quarterly

2.10.0_3

n/a

FreeBSD:16:latest

2.10.0_3

2.10.0_4

n/a

FreeBSD:16:quarterly

n/a

Dependencies

As this port's Makefile names them.

Build 4

${PYTHON_PKGNAMEPREFIX}numpy>=2.0.0 : math/py-numpy
${PYTHON_PKGNAMEPREFIX}packaging>=2.0 : devel/py-packaging
${PYTHON_PKGNAMEPREFIX}setuptools>=40.9.0 : devel/py-setuptools
${PYTHON_PKGNAMEPREFIX}wheel>0 : devel/py-wheel

Runtime 17

${PYTHON_PKGNAMEPREFIX}biopython>=1.80 : biology/py-biopython
${PYTHON_PKGNAMEPREFIX}filelock>0 : sysutils/py-filelock
${PYTHON_PKGNAMEPREFIX}GridDataFormats>=0.4.0 : math/py-GridDataFormats
${PYTHON_PKGNAMEPREFIX}gsd>3.0.0 : science/py-gsd
${PYTHON_PKGNAMEPREFIX}joblib>=0.12 : devel/py-joblib
${PYTHON_PKGNAMEPREFIX}matplotlib>=1.5.1 : math/py-matplotlib
${PYTHON_PKGNAMEPREFIX}mda-xdrlib>0 : misc/py-mda-xdrlib
${PYTHON_PKGNAMEPREFIX}mmtf-python>=1.0.0 : science/py-mmtf-python
${PYTHON_PKGNAMEPREFIX}networkx>=2.0 : math/py-networkx
${PYTHON_PKGNAMEPREFIX}numpy>=1.26.0 : math/py-numpy
${PYTHON_PKGNAMEPREFIX}packaging>0 : devel/py-packaging
${PYTHON_PKGNAMEPREFIX}scipy>=1.5.0 : science/py-scipy
${PYTHON_PKGNAMEPREFIX}seaborn>0 : math/py-seaborn
${PYTHON_PKGNAMEPREFIX}threadpoolctl>0 : devel/py-threadpoolctl
${PYTHON_PKGNAMEPREFIX}tqdm>=4.43.0 : misc/py-tqdm
clustalw2 : biology/clustalw
rdkit>0 : science/rdkit

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

Build dependencies 24

Run dependencies 190

The first 100 are listed.

Required by 1

science/py-MDAnalysisTests

Configuration

No options to configure.

USES: compiler:c++11-lang python
Service scripts: none

Files

distinfo 1

File

Size

SHA256

mdanalysis-2.10.0.tar.gz

5.263029e+06

5cef1f1eba4b25cbf9dd4045f08eeab293bb9577b970aa96132f14491312d877

Master sites 1

PYPI

Commit history 3

Date Commit Credits Log message

2026-10-18

99fef1bf6f

Patrick Crandol

science/py-MDAnalysis: correct dependencies

Some dependencies were missing. PR: 299526

2026-10-02

bba96c42a2

Yuri Victorovich

science/rdkit: update 2025_09_2 → 2026.03.6

also: - fixed many tests and upstreamed fixes (their testsuite is in a disarray, we shouldn't really be fixing people's tests, but anyways) - discovered and fixed wrong clang detection in the code, reported upstream - fixed wrongfully excluded code that caused plist issues - fixed compiler crash on 16 (by using llvm:23)

2026-07-13

d165f681b9

Yuri Victorovich

science/py-MDAnalysis: Unbreak by removing unnecessary patch; Remove installed doc folder

Reported by: fallout