Ports marked with a ^* actually reside within another category but have science listed as a secondary category.

csvtk Cross-platform and ultrafast toolkit for CSV/TSV processing

0.24.0_20 0.24.0_20Version of this port present on the latest quarterly branch.

Maintainer: jwb@FreeBSD.org

Port Added: 2024-04-15 08:39:30

License: MIT

Dependency lines:

• csvtk>0:science/csvtk

dirac Program for atomic & molecular relativistic all-electron calculations

22.0_2 22.0_2Version of this port present on the latest quarterly branch.

Maintainer: yuri@FreeBSD.org

Port Added: 2024-04-27 07:54:28

License: LGPL21

Dependency lines:

• dirac-quantum-chemistry-software>0:science/dirac

molgif Tool to create GIF animations of molecules

g20180108_20 g20180108_20Version of this port present on the latest quarterly branch.

Maintainer: yuri@FreeBSD.org

Port Added: 2024-04-15 08:39:30

License: ISCL

Dependency lines:

• molgif>0:science/molgif

multiwfn Multifunctional wavefunction analysis for quantum chemistry

3.8_2 3.8_2Version of this port present on the latest quarterly branch.

Maintainer: yuri@FreeBSD.org

Port Added: 2024-04-28 08:54:10

License: GPLv2

Dependency lines:

• multiwfn>0:science/multiwfn

py-MDAnalysis Python library to analyze molecular dynamics trajectories

2.7.0 2.7.0Version of this port present on the latest quarterly branch.

Maintainer: yuri@FreeBSD.org

Port Added: 2024-05-06 21:09:11

Also Listed In: python

License: GPLv2

Dependency lines:

• ${PYTHON_PKGNAMEPREFIX}MDAnalysis>0:science/py-MDAnalysis@${PY_FLAVOR}

py-MDAnalysisTests Test code and the trajectory data for test cases of MDAnalysis

2.7.0 2.7.0Version of this port present on the latest quarterly branch.

Maintainer: yuri@FreeBSD.org

Port Added: 2024-05-06 21:09:11

Also Listed In: python

License: GPLv2

Dependency lines:

• ${PYTHON_PKGNAMEPREFIX}MDAnalysisTests>0:science/py-MDAnalysisTests@${PY_FLAVOR}

qt6-quick3dphysics High-level API for physics simulation

6.7.0 6.7.0Version of this port present on the latest quarterly branch.

Maintainer: kde@FreeBSD.org

Port Added: 2024-05-15 18:21:14

License: LGPL21

Dependency lines:

• qt6-quick3dphysics>0:science/qt6-quick3dphysics

quantum-espresso Package for research in electronic structure, simulation, optimization

7.3.1_1 7.3.1_1Version of this port present on the latest quarterly branch.

Maintainer: yuri@FreeBSD.org

Port Added: 2024-04-28 17:36:05

License: GPLv2

Dependency lines:

• quantum-espresso>0:science/quantum-espresso

ttk Topology ToolKit: Topological data analysis and visualization

1.2.0_1 1.2.0_1Version of this port present on the latest quarterly branch.

Maintainer: yuri@FreeBSD.org

Port Added: 2024-04-28 07:24:04

License: BSD4CLAUSE

Dependency lines:

• ttk>0:science/ttk