science/avogadrolibs 2.0.0_1 FreeBSD

Avogadro2 libraries for chemical editor and visualization applications

System: FreeBSD
Repository: FreeBSD ports
Maintainer: [email protected]
License: GPLv2
Categories: science
Package size: 34231.3 KiB, 66315.4 KiB installed

Description

Libraries that are a foundation of the Avogadro 2 project.

Avogadro 2 is a chemical editor and visualization application, it is also a set of reusable software libraries written in C++ using principles of modularity for maximum reuse. The development of the first generation Avogadro application and library is documented in our paper, and this remains the preferred method of citation at present. The motivation for rewriting Avogadro, along with improvements and changes made in Avogadro 2 are summarized in our Source article. We provide a set of permissively licensed, open source, cross platform software components in the Avogadro 2 libraries, along with an end-user application with full source code, and binaries.

The library features updated and improved rendering, where we built upon the abstraction provided by previous API, but implemented a simple scene graph. This makes use of features such as impostor sphere rendering, resulting in significant rendering speed improvements while improving the quality of the visualization. The core is built for scalability, looking to enable the analysis of larger chemical structures and simulations being produced by computational chemistry codes today. Emphasis has also been placed on making it even easier to extend, using simple Python scripts to add simulation input capabilities, and data input/output along with access to full-blown C++ plugin APIs where more control is required.

In the other systems

The newest version among them is 2.0.0, as upstream numbers it.

System

Port

Version

Vulnerabilities

Status

Maintainer

Last update

FreeBSD

science/avogadrolibs

2.0.0_1 newest

none known

[email protected]

DragonFly

science/avogadrolibs

1.100.0

none known

[email protected]

GhostBSD

science/avogadrolibs

2.0.0_1 newest

no data

[email protected]

Install

Binary package:

pkg install avogadrolibs

From the ports tree:

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

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

RUN_DEPENDS=	avogadrolibs>0:science/avogadrolibs
LIB_DEPENDS=	libAvogadroCalc.so:science/avogadrolibs

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

2.0.0_1

1.100.0_1

2.0.0_1

FreeBSD:14:quarterly

2.0.0_1

n/a

1.100.0_1

2.0.0_1

FreeBSD:15:latest

2.0.0_1

n/a

1.100.0_1

FreeBSD:15:quarterly

2.0.0_1

n/a

FreeBSD:16:latest

2.0.0_1

n/a

FreeBSD:16:quarterly

n/a

Dependency graph

Ports that need it on the left, what it needs to run on the right; at most 8 of each. "Dependencies" below lists them all.

graph LR
  me["science/avogadrolibs"]
  u0["misc/kdeedu"] --> me
  u1["science/avogadro2"] --> me
  u2["science/kalzium"] --> me
  u3["science/py-avogadrolibs"] --> me
  u4["x11/kde-gear"] --> me
  me --> d0["accessibility/at-spi2-core"]
  me --> d1["archivers/brotli"]
  me --> d2["archivers/libarchive"]
  me --> d3["archivers/libdeflate"]
  me --> d4["archivers/liblz4"]
  me --> d5["archivers/lzo2"]
  me --> d6["archivers/zstd"]
  me --> d7["converters/fribidi"]
  me -.-> dmore(["165 more"])
  classDef this fill:#ab2b28,color:#ffffff,stroke:#ab2b28
  class me this

Dependencies

As this port's Makefile names them.

Test 2

googletest>0 : devel/googletest
molequeue>0 : misc/molequeue

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

Build dependencies 187

The first 100 are listed.

Run dependencies 173

The first 100 are listed.

Required by 5

Configuration

Options name: science_avogadrolibs

Option

Default

Description

HDF5

HDF-5 data format support

LIBARCHIVE

Enable optional Libarchive features

LIBMSYM

Enable optional features using libmsym

MMTF

Enable optional features using mmtf

OPENGL

2D/3D rendering support via OpenGL

Qt toolkit support

SPGLIB

Enable optional features using spglib

VTK

Enable libraries that use VTK

USES: cmake:testing compiler:c++17-lang eigen:3,build,run localbase
Service scripts: none

Files

pkg-plist 3065

include/avogadro/calc/avogadrocalcexport.h
include/avogadro/calc/chargemanager.h
include/avogadro/calc/chargemodel.h
include/avogadro/calc/defaultmodel.h
include/avogadro/calc/energycalculator.h
include/avogadro/calc/energymanager.h
include/avogadro/calc/energyoptimizer.h
include/avogadro/calc/gradients.h
include/avogadro/calc/lennardjones.h
include/avogadro/calc/uff.h
include/avogadro/calc/uffdata.h
include/avogadro/core/angleiterator.h
include/avogadro/core/angletools.h
include/avogadro/core/array.h
include/avogadro/core/atom.h
include/avogadro/core/atomtyper-inline.h
include/avogadro/core/atomtyper.h
include/avogadro/core/atomutilities.h
include/avogadro/core/avogadrocore.h
include/avogadro/core/avogadrocoreexport.h
include/avogadro/core/avospglib.h
include/avogadro/core/basisset.h
include/avogadro/core/bond.h
include/avogadro/core/color3f.h
include/avogadro/core/constraint.h
include/avogadro/core/contrastcolor.h
include/avogadro/core/coordinateblockgenerator.h
include/avogadro/core/coordinateset.h
include/avogadro/core/crystaltools.h
include/avogadro/core/cube.h
include/avogadro/core/dihedraliterator.h
include/avogadro/core/elements.h
include/avogadro/core/gaussianset.h
include/avogadro/core/gaussiansettools.h
include/avogadro/core/graph.h
include/avogadro/core/internalcoordinates.h
include/avogadro/core/layer.h
include/avogadro/core/layermanager.h
include/avogadro/core/matrix.h
include/avogadro/core/mesh.h
include/avogadro/core/molecule.h
include/avogadro/core/mutex.h
include/avogadro/core/nameatomtyper.h
include/avogadro/core/neighborperceiver.h
include/avogadro/core/residue.h
include/avogadro/core/ringperceiver.h
include/avogadro/core/secondarystructure.h
include/avogadro/core/sharedmutex.h
include/avogadro/core/slaterset.h
include/avogadro/core/slatersettools.h
include/avogadro/core/spacegroups.h
include/avogadro/core/symbolatomtyper.h
include/avogadro/core/types.h
include/avogadro/core/unitcell.h
include/avogadro/core/utilities.h
include/avogadro/core/variant-inline.h
include/avogadro/core/variant.h
include/avogadro/core/variantmap.h
include/avogadro/core/vector.h
include/avogadro/core/version.h
include/avogadro/io/avogadroioexport.h
include/avogadro/io/cjsonformat.h
include/avogadro/io/cmlformat.h
include/avogadro/io/cmsgpackformat.h
include/avogadro/io/dcdformat.h
include/avogadro/io/fileformat.h
include/avogadro/io/fileformatmanager.h
include/avogadro/io/gromacsformat.h
include/avogadro/io/hdf5dataformat.h
include/avogadro/io/lammpsformat.h
include/avogadro/io/mdlformat.h
include/avogadro/io/mmtfformat.h
include/avogadro/io/pdbformat.h
include/avogadro/io/sdfformat.h
include/avogadro/io/trrformat.h
include/avogadro/io/turbomoleformat.h
include/avogadro/io/vaspformat.h
include/avogadro/io/xyzformat.h
include/avogadro/molequeue/avogadromolequeueexport.h
include/avogadro/molequeue/batchjob.h
include/avogadro/molequeue/inputgenerator.h
include/avogadro/molequeue/inputgeneratordialog.h
include/avogadro/molequeue/inputgeneratorwidget.h
include/avogadro/molequeue/molequeuedialog.h
include/avogadro/molequeue/molequeuemanager.h
include/avogadro/molequeue/molequeuequeuelistmodel.h
include/avogadro/molequeue/molequeuewidget.h
include/avogadro/qtgui/avogadroqtguiexport.h
include/avogadro/qtgui/backgroundfileformat.h
include/avogadro/qtgui/calcworker.h
include/avogadro/qtgui/chartdialog.h
include/avogadro/qtgui/chartwidget.h
include/avogadro/qtgui/colorbutton.h
include/avogadro/qtgui/containerwidget.h
include/avogadro/qtgui/customelementdialog.h
include/avogadro/qtgui/elementtranslator.h
include/avogadro/qtgui/extensionplugin.h
include/avogadro/qtgui/filebrowsewidget.h
include/avogadro/qtgui/fileformatdialog.h
include/avogadro/qtgui/gaussiansetconcurrent.h

The first 100 are listed.

distinfo 4

File

Size

SHA256

OpenChemistry-avogadrolibs-2.0.0_GH0.tar.gz

5.218137e+06

08adefeb8122cf018587fc12872ed470bbf92b72fb73f0af1861ab58031cadfd

OpenChemistry-molecules-8a37883_GH0.tar.gz

9.981477e+06

20d6513f446956c2e24be1485dc3390dcc86347dee09da9c1c034fc2cc2057c2

OpenChemistry-crystals-7adea78_GH0.tar.gz

2.1674528e+07

31365be8e93590ca69664ffbc8cfc57c5ba1456da77927516c69599466bb414d

OpenChemistry-fragments-2e29d17_GH0.tar.gz

1.619155e+06

fe839bf32e654e59683da41559de0333630f9d4b4cfe6246bf5d679f01a7b287

Commit history 0

No commits in the history this site was built from.