Task: Nanoscale Physics Development
Description: Debian Science Nanoscale Physics development packages
 This metapackage will install Debian Science packages which might be
 helpful for the development of applications for Nanoscale Physics.
 .
 You might also be interested in the debtag field::physics and, depending
 on your focus, in the nanoscale-physics, physics and education-physics
 metapackages.

Depends: abinit-doc
Why: Abinit input parser and symmetry finder

Depends: libblas-dev, libblas-doc, liblapack-dev, liblapack-doc

Depends: libetsf-io-dev, libetsf-io-doc

Suggests: libfftw3-doc

Depends: libfftw3-dev, fftw-dev, sfftw-dev

Depends: libgsl-dev, gsl-bin, gsl-doc-info, gsl-ref-html|gsl-ref-psdoc

Depends: libnetcdf-dev, netcdf-doc, r-cran-rnetcdf

Depends: libtrilinos-dev, libtrilinos-doc
Why: High-performance computing

Depends: libxc-dev

Depends: libopenmpi-dev | libmpich-dev

Depends: wannier90-dev
WNPP: 578829
Responsible: Yann Pouillon <yann.pouillon@gmail.com>
Homepage: http://www.wannier.org/
License: GPL
Language: Fortran 90
Pkg-Description: Maximally Localized Wannier Functions - Development files
 Wannier90 is an electronic-structure software computing
 maximally-localized Wannier functions (MLWF). It works on top of other
 electronic-structure software, such as Abinit, FLEUR, and PwSCF.
 .
 This package contains the development files needed to interface other
 software with Wannier90.

Recommends: gsl-doc-pdf

Recommends: libblacs-mpi-dev

Recommends: libscalapack-mpi-dev, scalapack-doc

Recommends: science-mathematics-dev

Suggests: libfeel++-dev
Why: Partial differential equation library, FEA, CFD

Suggests: oce-draw

Depends: liboce-visualization-dev, liboce-ocaf-dev

Suggests: python-netcdf


Depends: libfox95
Homepage: http://www1.gly.bris.ac.uk/~walker/FoX/
Responsible: Yann Pouillon <yann.pouillon@gmail.com>
License: BSD-like
WNPP: 602100
Pkg-Description: A Fortran library for XML
 FoX is an XML library written in Fortran 95. It allows software
 developers to read, write and modify XML documents from Fortran
 applications without the complications of dealing with multi-language
 development.
 .
 The developer is offered three principle APIs which are accessed as
 Fortran modules. FoX_wxml is an XML writer used to sequentially create
 arbitrary XML documents quickly with minimal memory requirements.
 FoX_sax is a streaming, validating parser based on java's Simple API
 for XML. The third module, FoX_dom, offers a full implementation of the
 W3C Document Object Model (DOM).

Depends: libnbc
Homepage: http://www.unixer.de/research/nbcoll/libnbc/
Responsible: Yann Pouillon <yann.pouillon@gmail.com>
License: BSD
WNPP: 602104
Published-Title: Implementation and Performance Analysis of Non-Blocking Collective Operations for MPI
Published-Authors: T. Hoefler, A. Lumsdaine, W. Rehm
Published-Year: 2007
Published-In: Proceedings of the 2007 International Conference on High Performance Computing, Networking, Storage and Analysis, SC07
Published-URL: http://www.unixer.de/publications/?pub=46
Published-DOI: 10.1145/1362622.1362692
Pkg-Description: Non-Blocking MPI Collective Operations
 LibNBC is a prototypic implementation of a nonblocking interface for MPI
 collective operations. Based on ANSI C and MPI-1, it supports all MPI-1
 collective operations in a nonblocking manner.

Depends: libpspio
Homepage: http://www.tddft.org/trac/libpspio/
Responsible: Yann Pouillon <yann.pouillon@gmail.com>
License: LGPL
WNPP: 640664
Pkg-Description: Library to read and write pseudopotentials
 Pseudopotentials consist in atomic data used for atomic-scale electronic
 structure calculations. Libpspio is a library to read and write
 pseudopotentials in various formats, allowing as well for conversion in
 some cases.

Depends: libxc
Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc
Responsible: Damien Caliste <damien.caliste@cea.fr>
License: LGPL
WNPP: 602110
Pkg-Description: Library of DFT exchange-correlation functionals
 Libxc is a library of exchange-correlation functionals. The aim is to
 provide a portable, well tested and reliable set of exchange and
 correlation functionals that can be used by all the ETSF codes and also
 other codes.
 .
 In libxc you can find different types of functionals: LDA, GGA,
 hybrids, mGGA (experimental) and LCA (not working). This functionals
 depend on local information, in the sense that the value of the
 potential at a given point depends only on the values of the density -
 and the gradient of the density and the kinetic energy density, for the
 GGA and mGGA cases, or the vorticity for LCA - at a given point.
 .
 As of today, more than 100 functionals are available for various kinds
 of electronic-structure calculations.

Depends: spglib
Homepage: http://sourceforge.net/projects/spglib/
Responsible: Yann Pouillon <yann.pouillon@gmail.com>
License: BSD
WNPP: 602113
Pkg-Description: Crystal symmetry finder library
 Spglib is a C-library written for finding crystal symmetry. Symmetry
 operations, space groups, ..., can be obtained using this symmetry
 finder.

Depends: root-system

Depends: libroot-tmva-dev, libroot-montecarlo-vmc-dev, libroot-math-mlp-dev
X-Comment: Somebody injected the libraries from the ROOT system explicitely
 here - so these are included since root-system is packaged again
X-Suggests: root-plugin-fftw3, libroot-mathmore5.18
 In case these packages will be created in root-system these need to be
 added here as well.

Depends: python-fabio, libcbf-dev, libcbf-dev

Depends: pyfai

Depends: python-xrayutilities

Depends: crystfel-dev

Depends: libssm-dev
