Bug#578829: ITP: wannier90 -- Maximally Localized Wannier Functions

2010-04-22 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@ehu.es


* Package name: wannier90
  Version : 1.2
  Upstream Author : Arash Mostofi a.most...@imperial.ac.uk
* URL : http://www.wannier.org/
* License : GPL
  Programming Lang: Fortran 90
  Description : Maximally Localized Wannier Functions

Package: wannier90
Section: science
Architecture: any
Depends: ${shlibs:Depends}
Recommends: abinit, gnuplot, v-sim
Description: Maximally Localized Wannier Functions - Core 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 provides the dynamic Wannier90 library and the wannier90.x
 executable.

Package: wannier90-dbg
Section: libdevel
Priority: extra
Architecture: any
Depends: wannier90 (= ${binary:Version})
Description: Maximally Localized Wannier Functions - Debugging symbols
 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 debugging symbol tables for the static Wannier90
 libraries from the wannier90-dev package, as well as those for the
 executables from the wannier90 packge.

Package: wannier90-dev
Section: libdevel
Architecture: any
Depends: wannier90 (= ${binary:Version}), libatlas-base-dev
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.

Package: wannier90-doc
Section: doc
Architecture: all
Recommends: wannier90
Description: Maximally Localized Wannier Functions - Documentation
 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 documentation of Wannier90.



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602092: ITP: ape -- Atomic pseudopotential generator

2010-11-01 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: ape
  Version : 1.1
  Upstream Author : Micael Oliveira mic...@teor.fis.uc.pt
* URL : http://www.tddft.org/programs/APE/
* License : GPL
  Programming Lang: C, Fortran 90
  Description : Atomic pseudopotential generator

APE (Atomic Pseudopotential Engine) is a tool for generating atomic
pseudopotentials within the Density-Functional Theory framework. It
produces pseudopotential files suitable for use with SIESTA, OCTOPUS
and ABINIT.

This package will be part of the Debian Science nanoscale-physics
metapackage.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=l837
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602093: ITP: atompaw -- PAW atomic dataset generator

2010-11-01 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: atompaw
  Version : 3.0
  Upstream Author : Marc Torrent marc.torr...@cea.fr
* URL : http://www.wfu.edu/~natalie/papers/pwpaw/man.html
* License : GPL
  Programming Lang: Fortran 90
  Description : PAW atomic dataset generator

The computer program atompaw generates projector and basis functions
which are needed for performing electronic structure calculations based
on the Projector-Augmented Wave (PAW) method. The program is applicable
to materials throughout the periodic table. It produces an output file
containing the projector and basis functions and the corresponding
matrix elements in a form which can be read be the PWPAW and ABINIT
codes. Additional data files are also produced which can be used to
help evaluate the accuracy and efficiency of the generated functions.

This package will be part of the Debian Science nanoscale-physics
metapackage.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=+ppi
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602096: ITP: bigdft -- Wavelet-based electronic-structure calculations

2010-11-01 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: bigdft
  Version : 1.4
  Upstream Author : Damien Caliste damien.cali...@cea.fr
* URL : http://inac.cea.fr/L_Sim/BigDFT/
* License : GPL
  Programming Lang: C, Fortran 90
  Description : Wavelet-based electronic-structure calculations

BigDFT is a DFT-based massively parallel electronic structure code using
a wavelet basis set. Wavelets constitute a real space basis set
distributed on an adaptive mesh (two levels of resolution in our
implementation).
..
Thanks to our Poisson solver based on a Green function formalism,
periodic systems, surfaces and isolated systems can be simulated with
the proper boundary conditions. GTH or HGH pseudopotentials are used to
remove the core electrons.
..
The Poisson solver is also integrated in ABINIT, OCTOPUS and CP2K.

This package will be part of the Debian Science nanoscale-physics
metapackage.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=Jmma
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602097: ITP: exciting -- All-electron full-potential electronic-structure code

2010-11-01 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: exciting
  Version : 1.0
  Upstream Author : Claudia Ambrosch-Draxl claudia.ambrosch-dr...@mu-leoben.at
* URL : http://exciting-code.org/
* License : GPL
  Programming Lang: Fortran 90
  Description : All-electron full-potential electronic-structure code

exciting is a full-potential all-electron Density-Functional-Theory
(DFT) package based on the Linearized Augmented Plane-Wave (LAPW)
method.
..
It can be applied to all kinds of materials, irrespective of the atomic
species involved, and also allows for the investigation of the
atomic-core region.
..
We particularly focus on excited state properties, within the framework
of time-dependent DFT (TDDFT) as well as within many-body perturbation
theory (MBPT).

This package will be part of the Debian Science nanoscale-physics
metapackage.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=d9KO
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602100: ITP: libfox95 -- A Fortran library for XML

2010-11-01 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: libfox95
  Version : 4.1.0
  Upstream Author : Andrew Walker andrew.wal...@bristol.ac.uk
* URL : http://www1.gly.bris.ac.uk/~walker/FoX/
* License : BSD-like
  Programming Lang: Fortran 95
  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).

this package will be part of the Debian Science nanoscale-physics
metapackage.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=ScmS
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602104: ITP: libnbc -- Non-Blocking MPI Collective Operations

2010-11-01 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: libnbc
  Version : 1.0.1
  Upstream Author : Torsten Hoefler h...@ncsa.illinois.edu
* URL : http://www.unixer.de/research/nbcoll/libnbc/
* License : BSD
  Programming Lang: C, Fortran 77
  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.

This package will be part of the Debian Science nanoscale-physics
metapackage.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=WjKq
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602110: ITP: libxc -- Library of DFT exchange-correlation functionals

2010-11-01 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: libxc
  Version : 1.0
  Upstream Author : Miguel Marques marq...@tddft.org
* URL : http://www.tddft.org/programs/octopus/wiki/index.php/Libxc
* License : LGPL
  Programming Lang: C, Fortran 90
  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.

This package will be part of the Debian Science nanoscale-physics
metapackage.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=oSk6
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602111: ITP: octopus -- Real-space TDDFT-based electronic-structure code

2010-11-01 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: octopus
  Version : 3.2.0
  Upstream Author : Miguel Marques marq...@tddft.org
* URL : 
http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page
* License : GPL
  Programming Lang: C, Fortran 90
  Description : Real-space TDDFT-based electronic-structure code

Octopus is a scientific program aimed at the ab initio virtual
experimentation on a hopefully ever-increasing range of system types.
Electrons are described quantum-mechanically within Density-Functional
Theory (DFT), in its Time-Dependent form (TDDFT) when doing simulations
in time. Nuclei are described classically as point particles.
Electron-nucleus interaction is described within the pseudopotential
approximation. 

This package will be part of the Debian Science nanoscale-physics
metapackage.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=Uu3P
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602113: ITP: spglib -- Crystal symmetry finder library

2010-11-01 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: spglib
  Version : 1.0
  Upstream Author : Atsushi Togo togo.atsu...@gmail.com
* URL : http://sourceforge.net/projects/spglib/
* License : BSD
  Programming Lang: C
  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.

This package will be part of the Debian Science nanoscale-physics
metapackage.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=HXPx
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602126: ITP: python-ase -- Atomic Simulation Environment

2010-11-01 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: python-ase
  Version : 3.4.1
  Upstream Author : Ask Hjorth Larsen a...@fysik.dtu.dk
* URL : https://wiki.fysik.dtu.dk/ase/
* License : GPL, LGPL
  Programming Lang: Python
  Description : Atomic Simulation Environment

The Atomic Simulation Environment (ASE) is the common part of the
simulation tools developed at CAMd. ASE provides Python modules for
manipulating atoms, analyzing simulations, visualization, and wrapping
electronic-structure codes.
..
It currently supports ABINIT, ASAP, DFTB, ELK, EXCITING, EMT, FHI-AIMS,
FLEUR, GPAW, HOTBIT, JACAPO, SIESTA, and TURBOMOLE.

This package will be part of the Debian Science nanoscale-physics
metapackage.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=Pl8m
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#578829: First package ready

2011-06-13 Thread Yann Pouillon
Hi,

A first package for Wannier90 is now ready. It has been tested for a
few months on different machines. Wrt upstream, the build system has
been somewhat improved.

As upstream developers do not wish to bring changes to their current
build system, and as we want to be able to allow for dynamic linking
against the library provided by the package, I have agreed with them
that they will now leave a few tags at some critical places in the
source, so that I can keep the package up-to-date with upstream in a
semi-automatic manner.

I'll soon file a RFS.

Best regards,

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602100: Still on it

2011-06-13 Thread Yann Pouillon
I'm still working on the packaging of FoX. There will however be some
delay due to more pressing concerns these days.

I'll likely propose a package during summer.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602104: Packaging delayed

2011-06-13 Thread Yann Pouillon
I've not been able to work on LibNBC over the last few months.

I'll propose a package in summer.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602110: Package exists but is not registered

2011-06-13 Thread Yann Pouillon
A package was submitted to Debian Science by Damien Caliste, on
2010/11/24. However, a package search on all distributions still gives
me nothing.

There will soon be a new upstream version of LibXC. I'll take the
opportunity to check where the package for 1.0 ended-up.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602092: Package ready soon

2011-06-13 Thread Yann Pouillon
A preliminary package has been tested on several machines for the last
few months.

I just need now to fix a few issues with the documentation, and I'll
ask for a sponsor.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602113: Packaging delayed

2011-06-13 Thread Yann Pouillon
Due to more urgent matters, I couldn't dedicate time on the package for
Spglib.

As this ITP is a prerequisite to solve bug #602111, and as Octopus
still depends on proprietary software, I've rescheduled the current
packaging effort to a further slot.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602093: Package ready

2011-06-13 Thread Yann Pouillon
We have been testing different versions of a preliminary package for
the last few months.

Collaboration with upstream is very positive and truly active. Things
are moving extremely well. Improvements and suggestions are exchanged
both ways.

I'll very soon ask for a sponsor, since IMHO the package is in a very
good shape.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602096: Package in Debian Science

2011-06-13 Thread Yann Pouillon
A package was submitted to Debian Science by Damien Caliste in
February 2011.

Seems to me that things are following the normal process.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602097: Packaging delayed

2011-06-13 Thread Yann Pouillon
The upstream developers are using a non-numeric versioning scheme.

I have to discuss with them to decide what to do for the packaging.
This will take place in September.

Until then, the packaging efforts are on hold.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602126: Proposing a package soon

2011-06-13 Thread Yann Pouillon
I'm still in contact with the upstream developers of ASE, and I think
we can propose a package for Debian soon, very likely before September.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602111: Still non-free dependencies

2011-06-13 Thread Yann Pouillon
I'll discuss in September with the upstream developers about possible
plans to remove the proprietary dependencies of Octopus.

If things move well during summer, we might even be able to propose a
package before the end of the year.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602126: ITP: python-ase -- Atomic Simulation Environment

2011-02-18 Thread Yann Pouillon
Hi,

Le Mon, 14 Feb 2011 13:20:03 +0100 (CET),
Ask Hjorth Larsen as...@fysik.dtu.dk a écrit :

 I guess a few things (like the fact that this should be for Debian
 and not for Ubuntu) have to be changed, but otherwise things should
 be in place with the possible exception of some policy issues.

I'm also toying with a Launchpad PPA for now:

  https://launchpad.net/~pouillon/+archive/etsf-ubuntu

This is more convenient for us at present, as Ubuntu Lucid is the most
widespread distribution among the ETSF (http://etsf.eu/) developers. The
current objective is to cover all dependencies of Abinit, in order to
package its upcoming 6.6.1 version, refining the splitting of the binary
packages at the same time.

I'm currently working on the following packages: atompaw, wannier90,
libfox95. Damien Caliste and Sylvestre Ledru have already made - or are
in the course of making - some of the other packages available for
Debian: etsf-io, libxc, bigdft. I don't have any sponsor yet for my
packages.

 With regards to maintenance, I'm not entirely clear on how we were
 going to do things in the first place.  Yann?

As far as maintenance is concerned, I'm packaging the tools and
libraries which require the biggest efforts in terms of upgrading the
build systems and sometimes parts of the source code. In each case, I'm
working in close contact with upstream developers, and I can already
report a very successful collaboration for AtomPAW. For the rest, I
fully trust the persons who volunteered to create and maintain a
package. My only concern is to keep a good coordination among the
ongoing efforts, since we have long-term objectives in the ETSF.

I've been in contact with Andreas Tille for nearly 2 years, who
initially suggested me to create and maintain a metapackage for Debian
Science. After having discussed a few times of overlaps between
metapackages with him and other people, I don't see any problem in
DebiChem including some of the nanoscale-physics* packages in their
own metapackages.

Any help is of course very welcome as well. Just keep me in touch in
order to avoid duplicate efforts.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#578829: Preliminary package created

2011-02-19 Thread Yann Pouillon
I've created a preliminary package. I'll continue to work on it until
Lintian is happy with it.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602092: Preliminary package available

2011-02-20 Thread Yann Pouillon
We have been working on creating a preliminary package. A little more
work in collaboration with upstream is in progress. Then I'll ask for a
sponsor.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602093: Preliminary package available

2011-02-20 Thread Yann Pouillon
We have made a lot of progress, in a very fruitful collaboration with
upstream developers. I'll ask for a sponsor as soon as Lintian is
sufficiently happy with the package.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602111: Packaging delayed

2011-02-20 Thread Yann Pouillon
The packaging of Octopus will be further delayed, because there are
still non-free dependencies which have to be discussed.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602100: Improving the build system

2011-02-20 Thread Yann Pouillon
I'm enhancing the build system of FoX, before proposing a preliminary
package.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602104: Schedule

2011-02-20 Thread Yann Pouillon
A preliminary package will be created in Spring.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602113: Schedule

2011-02-20 Thread Yann Pouillon
A preliminary package will be created in Spring.

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#640664: ITP: libpspio -- Library to read and write pseudopotentials

2011-09-06 Thread Yann Pouillon
Package: wnpp
Severity: wishlist
Owner: Yann Pouillon yann.pouil...@gmail.com

-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1


* Package name: libpspio
  Version : 1.0.0
  Upstream Author : Micael Oliveira mic...@teor.fis.uc.pt
* URL : http://www.tddft.org/trac/libpspio/
* License : LGPL
  Programming Lang: C, Fortran
  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.


-BEGIN PGP SIGNATURE-
Version: GnuPG v1.4.10 (GNU/Linux)
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=ttl7
-END PGP SIGNATURE-



-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602100: Preparing package

2013-10-15 Thread Yann Pouillon
Hi,

I've created a Git repository on git.debian.org and will upload the
package data soon. I'll file a RFS to debian-science once the test
stage is over.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602113: Preparing package

2013-10-15 Thread Yann Pouillon
Hi,

I've created a Git repository on git.debian.org and will upload the
package data soon. I'll file a RFS as soon as the test stage is over.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602092: Preparing package

2013-10-15 Thread Yann Pouillon
Hi,

I've created a Git repository on git.debian.org and will upload the
package data soon. I'll file a RFS to debian-science as soon as the
test stage is over.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602093: Preparing package

2013-10-15 Thread Yann Pouillon
Hi,

I've created a Git repository on git.debian.org and will upload the
package data soon. I'll file a RFS as soon as the test stage is over.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#578829: Preparing package

2013-09-13 Thread Yann Pouillon
Hi,

I've open a git repository for Wannier90 and I'm converting my Bazaar
history to Git. I'll file a RFS once pushed the latest revision.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602097: Insufficient task force

2014-03-28 Thread Yann Pouillon
Hi,

Our packaging task force is insufficient to deal with all the software
projects we initially intended to package and we have unfortunately to
reduce the list. We are thus leaving exciting to whoever would like to
adopt it. Please contact directly the upstream authors if you're
interested:

  http://exciting-code.org/contact

Thank you in advance.

Best regards,

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#578829: Packaging strategy update

2014-03-28 Thread Yann Pouillon
Hi,

We're currently discussing the creation of a generic library for
Density-Functional Theory (DFT), where the current package could be
included partly or fully. We're thus reshaping our packaging strategy
accordingly.

More news as soon as possible.

Best regards,

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#602113: Bug #674135 incorrectly merged

2014-03-28 Thread Yann Pouillon
Hi,

I've seen that bug #674135, which was filed quite more recently that
the current bug, has been merged incorrectly: although I agreed that
DebiChem would take over the packaging of spglib, I'm still marked as
owner of this bug.

I'll thus fix this discrepancy now.

Best regards,

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#578829: Packaging both major versions at once

2014-03-28 Thread Yann Pouillon
Hi,

The upstream authors of Wannier90 recently released version 2.0. Since
other software projects still depend on version 1.2, and because the
migration will take some time, I'll rename the binary packages so that
both versions can be installed at the same time.

Best regards,

Yann.

-- 
Free Software is good for you.


signature.asc
Description: PGP signature


Bug#640664: Libpspio now part of the CECAM Electronic Structure Library initiative

2014-07-28 Thread Yann Pouillon
-BEGIN PGP SIGNED MESSAGE-
Hash: SHA1

Hi,

Just a few lines to say that, after having been delayed by various
issues, we have made Libpspio part of the Electronic Structure Library
initiative of CECAM.

The development has now been transferred to Launchpad, that we will
use to prepare experimental packages:

  https://launchpad.net/libpspio

Once stabilized, we will get in touch with Debian Science and propose
Debian packages.

Best regards,

Yann.
-BEGIN PGP SIGNATURE-
Version: GnuPG v1
Comment: Using GnuPG with Thunderbird - http://www.enigmail.net/

iQIcBAEBAgAGBQJT1oFkAAoJEIMRGgSH9UMpNoAP/2oaLfDyQEZ2K8OnYe9bJX+a
2eErc+M/nLiEsrkbwLusc1szfmey/AZ3B/AzZHfpXqZCIrnF7fDBMviBxwTNwBsT
NwFA2/NDi7a05SqiNbLuF5vCS6SjxCjOF2T/BTWR2Kye6mS7uNCQVWea0vkg23gT
OhJjUsLjk3hEWVVp6AqDk+WRzsFKjAfnT77hOTR0QaFu6sjy4G/MdHmKzQdt1TfA
NfiHSiv9hUZAv6xlNYMJMV7hRcllq4eosgZLO3faOEoUC5CDtfBA2p0sq8Py7YlI
EqqVFpuqauXm5pGztRflMGQqiR07FlHyQOoT3v80YE50EoHQbV56u8hyOyVe3mlM
hk8RzGCqdvy/DG+SnK5f0hLntQ5owgExJfnTqHkW0vgdUIAu5/y6BugdoFKOWoWC
WQ0kPWFXE6nUCSH2TSphpuNj3JrRaC29OrxWJDlX5L/t3GbqtoVJ4wnGKW0p0CIN
K7PaRIUkJXCVMYnUdPl1WnKqPzXQWxogtJ399ei857VqOXW9Y2QfOZ+fXy7KldlU
z5TL70TpOKCcrWzo+tHFJlE7kibizXkkfvz4laPL48AKqwCfbx3VLLRsW4UyNTIS
d57YFC8cvt0dJ+0ZMQB9P5aL4gYEU2tJCVxC11NQ7rTHE0ygysLTXYUG9ljSrmNL
syjRXNgqgcIRQT7U4yVz
=qOhB
-END PGP SIGNATURE-


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602092: APE: closing bug

2015-05-22 Thread Yann Pouillon
retitle 602092 RFP: ape -- Atomic pseudopotential generator
noowner 602092
close 602092

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602093: atompaw: closing bug

2015-05-22 Thread Yann Pouillon
retitle 602093 RFP: atompaw -- PAW atomic dataset generator
noowner 602093
close 602093
thanks

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#578829: Important team changes

2015-05-22 Thread Yann Pouillon
Hi,

Many changes are currently in progress in our teams. Further packaging
efforts will be coordinated within the Electronic Structure Library
Initiative of CECAM (http://esl.cecam.org/), which is now where the
hot stuff happens for us, and my involvment will be different.

In order not to prevent other people from packaging Wannier90
independently, I'll thus close this bug. If there is still no package
when the new team is ready, we'll open a new bug.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#578829: wannier90: closing bug

2015-05-22 Thread Yann Pouillon
retitle 578829 RFP: wannier90 -- Maximally Localized Wannier Functions
noowner 578829
close 578829
thanks

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602100: libfox95: closing bug

2015-05-22 Thread Yann Pouillon
retitle 602100 RFP: libfox95 -- A Fortran library for XML
noowner 602100
close 602100
thanks

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602100: Important team changes

2015-05-22 Thread Yann Pouillon
Hi,

Many changes are currently in progress in our teams. Further packaging
efforts will be coordinated within the Electronic Structure Library
Initiative of CECAM (http://esl.cecam.org/), which is now where the
hot stuff happens for us, and my involvment will be different.

In addition, the package will have to be renamed, in order not to
create confusion regarding its compatibility with Fortran standards
newer than Fortran 95.

In order not to prevent other people from packaging FoX independently,
I'll thus close this bug. If there is still no package when the new
team is ready, we'll open a new ITP bug.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602092: Important team changes

2015-05-22 Thread Yann Pouillon
Hi,

Many changes are currently in progress in our teams. Further packaging
efforts will be coordinated within the Electronic Structure Library
Initiative of CECAM (http://esl.cecam.org/), which is now where the
hot stuff happens for us, and my involvment will be different.

In order not to prevent other people from packaging APE
independently, I'll thus close this bug. If there is still no package
when the new team is ready, we'll open a new ITP bug.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#602093: Important team changes

2015-05-22 Thread Yann Pouillon
Hi,

Many changes are currently in progress in our teams. Further packaging
efforts will be coordinated within the Electronic Structure Library
Initiative of CECAM (http://esl.cecam.org/), which is now where the
hot stuff happens for us, and my involvment will be different.

In order not to prevent other people from packaging AtomPAW
independently, I'll thus close this bug. If there is still no package
when the new team is ready, we'll open a new ITP bug.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#640664: libpspio: closing bug

2015-05-22 Thread Yann Pouillon
retitle 640664 RFP: libpspio -- Library to read and write pseudopotentials
noowner 640664
close 640664
thanks

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org



Bug#640664: Important team changes

2015-05-22 Thread Yann Pouillon
Hi,

Many changes are currently in progress in our teams. Further packaging
efforts will be coordinated within the Electronic Structure Library
Initiative of CECAM (http://esl.cecam.org/), which is now where the
hot stuff happens for us, and my involvment will be different.

In order not to prevent other people from packaging Libpspio
independently, I'll thus close this bug. If there is still no package
when the new team is ready, we'll open a new ITP bug.

Best regards,

Yann.

-- 
Free Software is good for you.


-- 
To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org
with a subject of unsubscribe. Trouble? Contact listmas...@lists.debian.org