Bug#640664: Important team changes
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/CANaX_J_K0MJFVPkX=vqf8x-qvywc4md0jhjroxqljun-oxz...@mail.gmail.com
Bug#640664: libpspio: closing bug
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/canax_j8mk4hnztnnlessm-6kp3-usnbk+2qppasaaftryj-...@mail.gmail.com
Bug#602100: Important team changes
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/canax_j8l8vrgp5wufwq_kcnddm3nbsx6g_e7xj-bdht19eu...@mail.gmail.com
Bug#602100: libfox95: closing bug
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/canax_j9amyovjwpwjo-1a_5awgjqgzh2waxymsnr_p2ty_n...@mail.gmail.com
Bug#602092: Important team changes
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/canax_j_gins9+aya7dke92qcfpn-hjfghvcrhjm7x8j+zgs...@mail.gmail.com
Bug#602093: Important team changes
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/canax_j948r4ixzi_y3tz5lear29+rruzph0hp65acn37psk...@mail.gmail.com
Bug#602093: atompaw: closing bug
retitle 602093 RFP: atompaw -- PAW atomic dataset generator noowner 602093 close 602093 thanks -- Free Software is good for you. -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/CANaX_J-nDXo+2=aopxtjzzzgzdb579tpv9lt4syenegrgmq...@mail.gmail.com
Bug#602092: APE: closing bug
retitle 602092 RFP: ape -- Atomic pseudopotential generator noowner 602092 close 602092 -- Free Software is good for you. -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/CANaX_J8RBYAk5oxJABkpwXmKYMK4UwB_iodABE1=z0frvfe...@mail.gmail.com
Bug#578829: wannier90: closing bug
retitle 578829 RFP: wannier90 -- Maximally Localized Wannier Functions noowner 578829 close 578829 thanks -- Free Software is good for you. -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/canax_j-vhts3qqfdk9bx3r2v8b7a8ha1ml7+02esfv3o_h_...@mail.gmail.com
Bug#578829: Important team changes
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/CANaX_J_WJzoUOKWVejs3r=85n1Y=tsf+joriyempkqym_ab...@mail.gmail.com
Bug#640664: Libpspio now part of the CECAM Electronic Structure Library initiative
-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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/53d68164.4020...@gmail.com
Bug#578829: Packaging strategy update
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#578829: Packaging both major versions at once
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#602113: Bug #674135 incorrectly merged
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#602097: Insufficient task force
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#602093: Preparing package
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/canax_j85kyhwuufeoaexzbts2-zhuk3magwm-bqsrdkrvq9...@mail.gmail.com
Bug#602092: Preparing package
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/CANaX_J8X_NPYri-7ykuSWY2HjDp7C+iE_WKmai3vwLezxuM=m...@mail.gmail.com
Bug#602100: Preparing package
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/CANaX_J9x2Dw=fo9ig524TAN=1hpophgq8kv9szzj_tbamqp...@mail.gmail.com
Bug#602113: Preparing package
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/canax_j_fuwvsrr6gkn8yhxlshr+xbbixsebi+-nq6otd4p2...@mail.gmail.com
Bug#578829: Preparing package
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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/CANaX_J-7Dkem_1VjOe=bqx+egj2vevqh2keaxteq0pydoxk...@mail.gmail.com
Bug#640664: ITP: libpspio -- Library to read and write pseudopotentials
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: libpspio Version : 1.0.0 Upstream Author : Micael Oliveira * 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) iQIcBAEBAgAGBQJOZfl6AAoJEIMRGgSH9UMpgjgQAJ8JrUgf6dwHxIL1u50z5FpS 3BrCyyLnM7REYvHwS4PmczrA54Q1bt4zdtgGpbtXqYHuJI0G3af2b20LiYV1ObNG zaeT8fHYAnXjNBfZhDp1V2+y+g6FiMPOn8yq1C5ZIf+RZKp+vk8D0Bv92iIr+kIn 7tYrdt43RDZo6kCkjvmm10HuJShilMN9zpvBNCuX/zF+UoWHI+CihYZK6PtCULVa OnLaJNMpqZtseTxl0XP0+S+CmBPD9m4B/50Km7/DAITyADnnryl5zYHAXQXcuaTO p46H+ERSg0zJ+TiLZ/v1tWnseuiS2+yBr/HgqjHMTx8AWUoZX7ru6VKBR3eRzoPM hv9xInmsGiRc9GbJZMZRZOl8RPBETT15tdxHDfHdCWT9kQbvS2njrRH8kD82Zq9l PEm72kPFbMkEfmJMUaCd8JGaH+xe0Lcx3oaF/mxxMKKMI4MDh1e2GhxVQN56O0o4 RHrm92cs4y12JwazEfvu00PP6sfpbXFKoAiNm42te4kl/OSdxfl8n3ONVrtFmRFt Ls5R+rGwPxGFY2bXqJJP5Hq1VuEdSfy9wNL4IFR+21ve/Xw5H1hRXG+x4lqOY2wq TepEXH9Iuy7avEKFO4VRfJ2UTmwTdfeK/2EF1mVi9bJS7I9IgAOM0b8BN2WLFqkn /iCK8Nj3gMT3qFhH7d01 =ttl7 -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20110906104416.14182.20301.reportbug@altair
Bug#602100: Still on it
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#602097: Packaging delayed
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#602111: Still non-free dependencies
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: Proposing a package soon
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#578829: First package ready
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#602113: Packaging delayed
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#602096: Package in Debian Science
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#602104: Packaging delayed
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#602092: Package ready soon
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#602110: Package exists but is not registered
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#602093: Package ready
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#602092: Preliminary package available
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#602113: Schedule
A preliminary package will be created in Spring. Yann. -- Free Software is good for you. signature.asc Description: PGP signature
Bug#602100: Improving the build system
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#602093: Preliminary package available
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
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#602104: Schedule
A preliminary package will be created in Spring. Yann. -- Free Software is good for you. signature.asc Description: PGP signature
Bug#578829: Preliminary package created
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
Re: Bug#602126: ITP: python-ase -- Atomic Simulation Environment
Hi, Le Mon, 14 Feb 2011 13:20:03 +0100 (CET), Ask Hjorth Larsen 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#602126: ITP: python-ase -- Atomic Simulation Environment
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: python-ase Version : 3.4.1 Upstream Author : Ask Hjorth Larsen * 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) iQIcBAEBAgAGBQJMzxCfAAoJEIMRGgSH9UMpvnIP/iD5zEIIp8Bvt7GRDIKd6anz PQvNUEz/oYOjYuNE2Sl4HMWK3OxqbBpAg46L4CFTv40QNkOVSdCQP7TQ3mZCJaPg xJgJC858XzTjsDuLr4HHX0ORrxmBcQtYcSByyzGhc9Sp540qp+BXyBXJAs8FEurL cYDLZkwk1jWrduSe4ZyEXqFShN5v3rHGGyZb+4GxHQCmM6KQcALoAG7SXyaIz+nV w0cgvFyf6S8x9qV345G/BE7TIVcLYN2YHDX5Ms9366w84mCuezEygo7PO0W4I5Xa jnLFzseorgEJzdU9ZbnZ1o9MBLsO6BYixNMr6m5x6AZXGWq4IhXKTMdswUxWytIC Q3I2Uce2Cl5MIvhcOvwrWM2ad9/KiECvmqnG1OfiY6nTYgXt2b1suxWqAPsgXYDy ncFtQps6KpdBLpCCwyulq02hDKfaVCHAVFxLDUoTolYiW2RBMbUoDCOR8pPGbzfr eD0fahbaHT+3+sefZzGVlEkIfWBi7TK3WIZD8f5qcYdwli8gQa8gYPAINIyCdjJF XJH0LlNlufhk7d+uTDYhcqKe5EtP+FwNkGB68kxS5WLialSTz9y/zHp2nWkz5Gzn D7ikhaAYgs82wchvp0dwqnN84jDsTIkCtxqsXlXLWytKen2zAmXFpk2Q/c+w3pWt QDYhcS6bPfvBcDq3mkfg =Pl8m -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101191030.31226.82190.report...@altair
Bug#602111: ITP: octopus -- Real-space TDDFT-based electronic-structure code
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: octopus Version : 3.2.0 Upstream Author : Miguel Marques * 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) iQIcBAEBAgAGBQJMzvIvAAoJEIMRGgSH9UMpB2MP/12Az7tlxIfS1Bap9p3thTX0 AXqb23m7ipBFJ2SA1FOXPsdMpS/HgB4Ux//U1D7Vy4YJaRU5qBg7OZ3uEdeBn3zI 14iuPjM+GXk3RoKBnNyMwdo+floIT3kV0uPSJToY6QP9Q2YzBRfhi08x6eXlA95q stHo1ACIZSjCfYlYyFoDZC+qjwhFc2Xz4NmHfr7h0/VT9LxLxunXcnGlNrpnX4Md dWA44/ZoVQIURHxPfi/LHUOsWgZycSUov1BUDlyUvNlr1V6veK/yAhRlGE30Mb4M hJvSnufx+90n8pkvJXo1K6TMwYwDVGTHQF+shS/OecnZgrcDdXt/kYd1TZxFRvTf ZEbXIUwuFVd8Q3sYxXTSV5GZ+KOPrIJ5OrEV+WtR0eqxlWRHXbFyNDFxZZ+j3grF tUCR9IDHBadG2OmLH/aIejptkcd/f63KH9rvpAI0FXTKktGrH6Kx5huVKFLuyXV6 NrPpGUffuOZvMWYfd+wDm/ATMzs1whhzCeZAo4jqPVZGRV8L+3VXas+95g5TY4CY xC1AkMA16Qe82QMdCpYrysOOWjGWOJ364yPSF1RpvCC7ZQ6pvnTLe6oP3wtJ7qtH TWUs79GxdHw9nLgqrDKQJ/49wWo9R+7g0jTlQPpVq6/Wv+tGkmN4HROgwjWM78SB z+kKmmIaIbwu6JaUftjt =Uu3P -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101170031.30374.22104.report...@altair
Bug#602110: ITP: libxc -- Library of DFT exchange-correlation functionals
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: libxc Version : 1.0 Upstream Author : Miguel Marques * 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) iQIcBAEBAgAGBQJMzvCPAAoJEIMRGgSH9UMpHIwP/3frFIbz8juOtysDkl9iCtxq 4pmUjJyox64jU51MdUoi9w4Pvq+bLxspqSsWh07ia1xz62M8mX6YtgI+1uN9Ytep pKkxhgC+yIvpshPLmBDDGSw+I8VMv1wHnI4NUfKHmFDf58UBnz9zKxvvUS31n5m0 s8YasMypk/NsRvIGrnuXFTKNYBGZ/o2Hj0dcg0xQrha0JohiQCu2CEnWqJb54xMo tvzR7+XMnrCyxYGO3kcGT706xtw75zxldxOaYVc0jkluaCcfWG6lywoAY8q5Hou6 MscMVb0X2Hri9a2oENifTCPmpfH2JRksA1yNIs81EzGhbGkReXQz94SnCDgwHRXx NR8mR9uP8CiXP6j4Hbmu+i8gCE3Ziq2e+4MeaK/+aK4CcmPMByzZs0NE/L+vcxW5 XrXVLC02DjfWCbdlfXFwaEpt+0jxK+D8M2TyRKmIJCNyYwlVDBvFevnvldQcTx/z t/YHJ5EONPiYYx1gBfcN4//as5nZJ5EsQkVV6xrLN+iAHSqsaKexwHwzvbBY+Bal YLPNmDPZmx1XzXA5khLAZ9NipJuFJpaXl3oBMYITp+jUHrRfwSoDBaTiWej4mShU l2C/TZ1cOVEi6z4Aco+OkyS3uAepsSxYxy+D+iiR3zuGrnBTHpvxkcxTtBvgYPuY syAKBZFDdhPQwp72s/T7 =oSk6 -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101165340.30327.18804.report...@altair
Bug#602113: ITP: spglib -- Crystal symmetry finder library
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: spglib Version : 1.0 Upstream Author : Atsushi Togo * 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) iQIcBAEBAgAGBQJMzvMzAAoJEIMRGgSH9UMpmVYP/j/RahIbOmWF8NwUAMvk/rkd 4KcQVoQvym97nhddgwNIx7VsVkFb4eCdpb0m+DDmZvte69Yn6jYwKHj/wn0NRols 7gr7SiefAc6Y58iBu/CNkl2YXaTFuPWxVpjbQYdMKy9ZpwpqNYTMJEgzVs4X9fzD GtzdJ2NNrcmN5gjuDhtc2YKpVreTa6dXHEo17dJFU1WEl0LTBbnD3il6XUz5QqQ5 T8bNPua5bZ69hkcYiqTyufDUkeBpJFFuoJ0SjM7G3Pr2kSsJ6Ct1bIQgDa2QglPZ kDa1LJv6sjLd1b8+78FH/+eFXlepUL+fE7BGQgzEiFEZnMGlB1xczwdzkEBrwIZA 2RD7IUQ3Lz1yDzG56OtWwsI79fGRa+cnZ2qcNvywVRKoWTQVWSmtahAiaEFayMZK EgI7p+7wCcBVfpqJoJKIsIxWOlmRpBKWP7rVK9LjnZiV1SAgwb1ibdMJw6/kK8K1 LYUT63jJNDYw2CFzaJjtKa/rQQk3c64VCWYahtveZ9ztGEbKml5N7g9VE1NvQYP5 G/1CO3HTsOIBwHuKqZ5CGLZf/VuDRwdtIHzvaBMi3waLIKN5r5LtxmlzW+VCA2Mp JPbjMlS21NIRU/Z4Sv8SHK919i+5NdmeqaD4X0GZurwdH0LNwts5aU2QQRixDltn WIVwuaBENYoiZ6cOmIG/ =HXPx -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101170451.30402.77968.report...@altair
Bug#602096: ITP: bigdft -- Wavelet-based electronic-structure calculations
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: bigdft Version : 1.4 Upstream Author : Damien Caliste * 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) iQIcBAEBAgAGBQJMzt1hAAoJEIMRGgSH9UMpvKUQAIqZ9i5c4XZfI1Vb96GGjjOp /YG3NxsmKeg3ujYbxJ1uu0+SegIFJDxaeOq6WWTeeFzT7y0sPorCh+v2b1an1Sqi tQGJ3HvkO/K9wZ3toDtLgfL/5n86qhav+dbX2rf0IThYL0NauHBbwsURtBnrcdnp 0jaF0L7p2bpSAPA6hcCGmg8IsoFaqyGv74nKOZha4GnYcL707QymfXbUpx5dVMHz fj1ewMhF52WbwCUl4gUcmCt3osti8VSX/HdXgUIJ4o1TyodyhWGvEPy0TWj7cg8x DHmfCfIJPS6tKRtv4ysksOpFooAEuEas6lF7CAN4SsqP5iC4EkTwW9KA0XNCQZNd U4OsOnTV3jpuLf+1ugH+6EidhUCKBTQfjzkpZt+676tUr03yBWRyLcn27kuLIP/y MOAftXJ9kiFxto2SrzlP9pZifeNbmUjQLwrMrI3hcNvfEhfTFRyvmKH7nzK7IupY vjrvujwwdUwjHtwRFf+Fwqy5ATp8wbe+PqWIO674okrU8se8f8zpIIsOxPETJ/Af AiKZ61dwS5N6k1nltPenLFN54kOSSFP+G7+8FTA3o+yg7v11PZQKpmKXlVaW6t8X EZFcP6+GtPmU+kSOfcBYZKFl+cL/3drJtpFocmyMPqyPiFJgxgbL86x1JGGTp4eb CR8SRYrWAEUJ8rsbIXha =Jmma -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101153152.29857.26923.report...@altair
Bug#602104: ITP: libnbc -- Non-Blocking MPI Collective Operations
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: libnbc Version : 1.0.1 Upstream Author : Torsten Hoefler * 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) iQIcBAEBAgAGBQJMzucnAAoJEIMRGgSH9UMpfCkP/Rmmo0aG3cffMhtSFeIDdxa2 eBMQfJEpFcL6yXEY1eTFiRg5xZYkdrvD4kWB04hoRV1pJqI99DybMzfg/yHP62ef QE6BPE5v8Eny6nm6NCvHRpmv8nCNr9S8ivPFN9t2Qi7iGyCUJd1lEhaJlhJM79um LSJHHMTN7hLQH/ZovGeGdBP0GFSebDX15tycRl6OdhoVnmfOBoihJ+sRjmdz+T3i pHtI29HTFkHDe6CEHAk6INqI7ysV1VPWUACm1iCjc22+WuVYZa/cEHm8aZdNS82V aV2QX2OFMdExxNeEe5IFuAIYSxME4Xf2S3it7I7drhp4O4kC3BZWzkVqL8tU1bRt mgqHgZ+hGYbI6BsmGMarNcAFTecuBafuoQqRIwnT8oaU+yUKR34QIUIJG5z1xHvq sWcWBN+qn6vPPx0N7yVsvLy4dEV0H3jFeokAJmQWL2SAjKdg1kKz2gEn5wpmssVY VZZzwibm2JYF86fGACU/h+Ju0Qpc+qZHCrZ0JvDzSoifrjRbx2NDNFL2X8u9iqeY o5OwyAcUOiovGalyVcN6vzgKtSpmwmfEH+rIZGkkWWkGVrqXQkqQbTkmOWjYCg9u dedj6FQV2gMVV2N8DGlvPnj1uVi5ETvmT3qMYD+VAD5hXcRGSzzFVgA2qm3hIQGI Jh8dAHg5sWyFghR71R5g =WjKq -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101161333.30146.80812.report...@altair
Bug#602092: ITP: ape -- Atomic pseudopotential generator
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: ape Version : 1.1 Upstream Author : Micael Oliveira * 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) iQIcBAEBAgAGBQJMztfoAAoJEIMRGgSH9UMpbxEP/0B8ZFmIfoUxrC8w2oyPQfqR U25cZY/F67Zeybl/nAuH28FWylINLxSZ4DEQNWnDRkNa8m/gZAZT6MSUfRJM07/Q x03KNObDVEyjWSsBHhEDq4hNl9gHT5JFMkIXNYDFdQFc37o6BNBdtYiRhaexKJy8 AjCPcYkUX7gKQZIdvzDiSCzcdgHtwyqQSUKF8iNR1d5kRTuyCgvZAyqVRiOcSsC7 OB4PW4XpWDs0QnnAxE233tpBaUCx7AQxutk0Mqo40V4vBxw6uqEFZ/Bb9yZ+R2Sr B2iEp8OYlkQEams2pIoffJSeHVZqZ65gJtjeLnq+agk0fUNbdPe+dw2kWoVmZY4z adPFxQOSZ0SMFoXRtPIbG+Npo1zjeGXzfw2JIBmYpXRCtT+AlHdGht+ClGZ9+nla ws6XiR9LpBF6Zu3J6XQZ+fDVjPfG3VIiGv5FMsOciJJOl3XPtL2iAhlJ5ZuH2G0p 1RHL8HNI+oVhpUGzW5S3YWTl6f/fP32rFhLt7V+pcN2tzfyA2fWzO5g/xcEF7lPK m2dKQoSUTVA/9hOOnyv3T2ULWnmZnM1VloJjepI7VykDJJlWbJqRjGdqN9MYwRgh t0lb8dm6MsDiSt785RTd+HR6a7V2TG/URMetZs+M+y8NOx+hmRSfHqFUBKsfRsgf UfPZ10SMNMB+mPywVu4d =l837 -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101150824.29581.97498.report...@altair
Bug#602100: ITP: libfox95 -- A Fortran library for XML
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: libfox95 Version : 4.1.0 Upstream Author : Andrew Walker * 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) iQIcBAEBAgAGBQJMzuScAAoJEIMRGgSH9UMpL1IP/Agvu5D1wyewFgZPiTJs3qM4 siKHeEaS1aIKI3PUwqrgZyvM/7ddziYgpsvo7rpJ0AthFUf8Rm1WPncP09K/li74 3mNecx2OmA2aN58RK7uT+Z/JprAtz9yXZSM1vzi5tXlSkr/icqJKKzFvm9zmng1M nApzdzka+d/HeGarU69WoU1P9UKnMbhkBmH8KkpNqi/pSW6YfGiylK8BZjveBU2D PCtCFz6/wQUGpi+FY1Y9yle4yzCDYd3u+yxSVgeCk2H9/u9mRm/LL/2UKhouYM+O 1vIshaF2XZQ1fQV4OzDnkpBx24VW2DfVvoTUO+ZRHt1lY8PKo/Cf/D5Z6xUYqx/c 9JTFFpZVjNneCRXdFzwcXBTfdbb6/pOBT5gtt0nGgNBOFl12fNHuaOie1SKOeVmT UyrLb0uWdbff8Amj81ciaJ4Y1IJ2YcBFp9KxNquzHk2eSmwIvPCKA1MH6FVAmWsT 5+fPFWytLiVByKlqX6+/DvwQTTZg5P5uD3DvQpDJ/xhDKoY4yww7s0BAaUlg4y9n vbrouS42kobxvatLmz4Wie1H26G9zksD6XBf3AfhgAHHjfTF75VQp4QUX5IofpjX usfbIuAS30bbNe/ZlfDFBUHLiUlbo8IXssffxjkc4/FzNz7pY2XcGgM3esq0pd7n FJYlKjPPihbXSR7P1q0F =ScmS -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101160241.30060.41435.report...@altair
Bug#602093: ITP: atompaw -- PAW atomic dataset generator
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: atompaw Version : 3.0 Upstream Author : Marc Torrent * 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) iQIcBAEBAgAGBQJMztlOAAoJEIMRGgSH9UMptg0P/Rg+45rk9IFl91inmJcYJjDe CU6Ix7f6oOVsmDuZA3QP8vCNncBb3Ecps8/Lc7KFaDY7l7U/PHHQfP/4ctNzaqST rHQ4OBK2iDhmhp7d6sAykSSur99hp/5GsjFYUQ6fNyaQ6FXOKnWOF8q+99lMnIB3 migUjRoLfMvUo8iP5wh085AvmTtTd+da7ugNrMdtnWgLzNc5j5j49Np+5Wr10l8I zoF743mVXkuEtZvSLBr2dbDncjB04xl1VA4kMZnYROpmqxFoDIY1ikC5Vi8v3QdP 0kSBa33NENOcRBvEIsxE92RLH3hycHPSqdubOSSJXY4yrU41QWot4Z2YWr9KFcLa ueZcZvdYffkolXUhVZFnBF8M8VOC5/4QqD5LDIDCERnNiaBLCMFJJ6Ieip54ouRR NWH8BM8T37LljEsC2VQUWwslcAkLYdEhNDt7J5MS3lpUeiy8U7dTE3vy+Nq0YLXI CUqyR+9oXs7aPYxShWmYbr8pTT51I1Qxpcpv7TMlcvbTasWkkMN96NCQEmWKZFNf OBhXMYJEWsjAbPYfN1GrTWzs8bk1G0uHvtJiR8bZWXY80EDLDDYIL8haHgxUNp77 Kv7jPFPn3qcDtabXMKviCTpVLW+gaRh6NkHsJ74XqRZibzTRl3+TlcZxGeLIVlgw JOz6kLpsk/oJuA99D/VM =+ppi -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101151422.29619.63726.report...@altair
Bug#602097: ITP: exciting -- All-electron full-potential electronic-structure code
Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: exciting Version : 1.0 Upstream Author : Claudia Ambrosch-Draxl * 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) iQIcBAEBAgAGBQJMzuAFAAoJEIMRGgSH9UMp4OkP/37UPE92zVvzZuJfsMLyWyNm ydsHaU5WhbTkGurmLDqU82zxqL1YmF8LzqUevA6y/xaW+wKg+mspMOKEwucx2/hW /OvK6gFmVrSB3hMhWoZeSx5yNGwUBIfu9mmDXQ5XW8ooaD2MnKEvaTTR3dlBQZ1L zFUb5atQgMGtN0QxNyEqQcR9Z3ImU8PrdMPDD44UxwC3QTCGLbn/IEu+cVViF+6I SbLyU7QRqSg0BG13V6pt7o+hPBrndLcw1iBUNSr82wJ50FmF8k1bRps5nE6ddwiE FFy3iYXYBx2vfx+pdqE6/z6l1MpFZCTn2edBHAIE1R/bMnDka7V7xdVujkqHb6Jt E0qHm0ECTrokLDJY4P1Y/jG63ALLac8WyF0BMk4e1HYW5MuB8LHZyQxN1BbRRiJe 2LwL8PEQzZMZ1ck6qH03dmRtv+nUjEH7HBX8Di9VXZfZNt5+5J17aZdN7ybhLQct uNPL+hUKJ0zzNq2GXbXYmyU63WTephmzjILSQ2ExRlR8Ml3vZABmr3WTs6nwzgxc J/+PWRx2DgrpSPgvtTNDAs0mDZJXuSKXHHnTUHAhKioLBB5/Dw6g1RNk8Uc9YISa NkcZWqFiXm2i+/fPLjEG5iQ9MpZNPysiv7WEM3xIbWzHejLBNUyknIA1jIKAYqD3 M4mjB/RTvPevemZXR3pf =d9KO -END PGP SIGNATURE- -- To UNSUBSCRIBE, email to debian-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101154307.29972.79053.report...@altair
Bug#578829: ITP: wannier90 -- Maximally Localized Wannier Functions
Package: wnpp Severity: wishlist Owner: Yann Pouillon * Package name: wannier90 Version : 1.2 Upstream Author : Arash Mostofi * 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-wnpp-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/2010043004.3874.14627.report...@proteus