[ bookworm ] [ sid ]

Source Package: votca (2022.1-1)

Links for votca

Debian Resources:

Maintainers:

External Resources:

Homepage [www.votca.org]

The following binary packages are built from this source package:

libvotca-2022: VOTCA molecular dynamics analysis - shared libraries
libvotca-dev: VOTCA molecular dynamics analysis - development files
votca: Molecular dynamics analysis - coarse-graining and charge transport
votca-data: VOTCA molecular dynamics analysis - basis sets and scripts
votca-tutorials: VOTCA molecular dynamics analysis - tutorials

Other Packages Related to votca

build-depends

build-depends-indep

adep: bash-completion

programmable completion for the bash shell
adep: clang-format

Tool to format C/C++/Obj-C code
adep: cmake

cross-platform, open-source make system
adep: debhelper-compat (= 13)

Package not available
adep: dh-python

Debian helper tools for packaging Python libraries and applications
adep: gromacs (>= 2022)

Molecular dynamics simulator, with building and analysis tools
adep: libboost-all-dev

Boost C++ Libraries development files (ALL) (default version)
adep: libecpint-dev

Effective Core Potentials integration library (development files)
adep: libeigen3-dev

lightweight C++ template library for linear algebra
adep: libexpat-dev

virtual package provided by libexpat1-dev
adep: libfftw3-dev

Library for computing Fast Fourier Transforms - development
adep: libgromacs-dev (>= 2022)

GROMACS molecular dynamics sim, development kit
adep: libgsl-dev

GNU Scientific Library (GSL) -- development package
adep: libhdf5-dev

HDF5 - development files - serial version
adep: libint2-dev

Computation Chemistry Integral Evaluation Library (development files)
adep: librdkit-dev

Collection of cheminformatics and machine-learning software (development files)
adep: libsqlite3-dev

SQLite 3 development files
adep: libxc-dev

Library of Exchange-Correlation Functionals (development files)
adep: pkg-config

manage compile and link flags for libraries (transitional package)
adep: pybind11-dev

seamless operability between C++11 and Python
adep: python3-h5py

general-purpose Python interface to hdf5
adep: python3-lxml

pythonic binding for the libxml2 and libxslt libraries
adep: python3-numpy

Fast array facility to the Python 3 language
adep: python3-pytest

Simple, powerful testing in Python3
adep: python3-rdkit

Collection of cheminformatics and machine-learning software
adep: python3

interactive high-level object-oriented language (default python3 version)
adep: sphinx-common

documentation generator for Python projects - common data
adep: txt2tags

conversion tool to generating several file formats

idep: doxygen

Generate documentation from source code
idep: gnuplot-nox

Command-line driven interactive plotting program. No-X package
also a virtual package provided by gnuplot-qt, gnuplot-x11

or gnuplot

Command-line driven interactive plotting program.
also a virtual package provided by gnuplot-nox, gnuplot-qt, gnuplot-x11
idep: graphviz

rich set of graph drawing tools
idep: pandoc

general markup converter
idep: python3-ipykernel

IPython kernel for Jupyter (Python 3)
idep: python3-nbsphinx

Jupyter Notebook Tools for Sphinx -- Python 3
idep: python3-recommonmark

CommonMark utility for Docutils and Sphinx projects -- Python 3
idep: python3-sphinx

documentation generator for Python projects
idep: python3-sphinx-rtd-theme

sphinx theme from readthedocs.org (Python 3)

Download votca

File	Size (in kB)	MD5 checksum
votca_2022.1-1.dsc	2.7 kB	e4d3de5482691e28d1037255ff1f69a2
votca_2022.1.orig.tar.gz	60,246.7 kB	4f11e1f1c8099b92341c79939995ca9b
votca_2022.1-1.debian.tar.xz	202.7 kB	277818122c4d47c50765e861799e9ef0

Debian Package Source Repository (VCS: Git): https://salsa.debian.org/debichem-team/votca.git
Debian Package Source Repository (Browsable): https://salsa.debian.org/debichem-team/votca