Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
Hi, i have created an ITP for gpaw-setups: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=787329 Best regards, Marcin On 05/30/2015 02:39 AM, Marcin Dulak wrote: Hi, On 05/05/2015 03:49 PM, Andreas Tille wrote: On Mon, May 04, 2015 at 05:34:22PM +0200, Marcin Dulak wrote: 1. subscribed to https://lists.debian.org/debian-science/ 2. created account at https://alioth.debian.org/ 3. uploaded the public key at https://alioth.debian.org/account/editsshkeys.php I'm unable to ssh after 24 hours (by the way to ssh where? I'm trying to git.debian.org) maybe due to the fact, as the https://wiki.debian.org/Alioth/SSH states: "You have to be a member of at least one project to be able to login via ssh" I'm unable to figure out how to add myself to a project (I guess debian science?) After login in to the web interface of alioth you should find a link to ask for membership. You will find it when going to https://alioth.debian.org/projects/debian-science/ in the end of the list of members on the right. thanks to https://lists.debian.org/debian-science/2015/05/msg00027.html i managed to create a repository for gpaw at http://anonscm.debian.org/cgit/debian-science/packages/gpaw.git (for the moment it's empty), but encountered several problems when trying to created a package locally on a jessie amd64: 1. gpaw depends on gpaw-setups (https://wiki.fysik.dtu.dk/gpaw/setups/setups.html) which is ~50MB of data without which gpaw won't work. gpaw and gpaw-setups are versioned separately and gpaw-setups are updated separately from gpaw upstream. Should I open a separate ITP for gpaw-setups? 2. gpaw depends on python-ase, which, in jessie: "E: Package 'python-ase' has no installation candidate". python-ase is somehow present in wheezy, but very outdated. I'm trying to contact the maintainer to update python-ase in jessie. 3. For the purpose of packaging I'm installing both gpaw-setups and python-ase (on jessie amd64) from http://download.opensuse.org/repositories/home:/dtufys/Debian_7.0/amd64/ and getting an error from debuild -us -uc: ... dpkg-source: info: building gpaw using existing ./gpaw_0.10.0.11364.orig.tar.gz dpkg-source: info: local changes detected, the modified files are: gpaw-0.10.0.11364/configuration.log ... It looks to me like the configuration.log file, which is written during compilation of gpaw is treated as a source modification. I'm using the following debian/rules # #!/usr/bin/make -f DH_VERBOSE=1 PYTHON2=$(shell pyversions -vr) %: dh $@ --buildsystem=python_distutils --with=python2 test-python%: set -ex && mkdir tmp && cd tmp && \ PYTHONPATH=../ python$* ../tools/gpaw-test && \ cd - && rm -rf tmp; \ override_dh_auto_test: $(PYTHON2:%=test-python%) # Any suggestions? Best regards, Marcin What's next? I guess you have many users asking for this - why not updating the documentation with ALL necessary steps? Please provide a patch for the docs which seem to be clear to you. It is sometimes hard for people to write docs who passed all this hurdles long time ago. Kind regards Andreas. -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
Hi Ask, could you update the python-ase on Debian? Best regards, Marcin On 05/30/2015 02:39 AM, Marcin Dulak wrote: Hi, On 05/05/2015 03:49 PM, Andreas Tille wrote: On Mon, May 04, 2015 at 05:34:22PM +0200, Marcin Dulak wrote: 1. subscribed to https://lists.debian.org/debian-science/ 2. created account at https://alioth.debian.org/ 3. uploaded the public key at https://alioth.debian.org/account/editsshkeys.php I'm unable to ssh after 24 hours (by the way to ssh where? I'm trying to git.debian.org) maybe due to the fact, as the https://wiki.debian.org/Alioth/SSH states: "You have to be a member of at least one project to be able to login via ssh" I'm unable to figure out how to add myself to a project (I guess debian science?) After login in to the web interface of alioth you should find a link to ask for membership. You will find it when going to https://alioth.debian.org/projects/debian-science/ in the end of the list of members on the right. thanks to https://lists.debian.org/debian-science/2015/05/msg00027.html i managed to create a repository for gpaw at http://anonscm.debian.org/cgit/debian-science/packages/gpaw.git (for the moment it's empty), but encountered several problems when trying to created a package locally on a jessie amd64: 1. gpaw depends on gpaw-setups (https://wiki.fysik.dtu.dk/gpaw/setups/setups.html) which is ~50MB of data without which gpaw won't work. gpaw and gpaw-setups are versioned separately and gpaw-setups are updated separately from gpaw upstream. Should I open a separate ITP for gpaw-setups? 2. gpaw depends on python-ase, which, in jessie: "E: Package 'python-ase' has no installation candidate". python-ase is somehow present in wheezy, but very outdated. I'm trying to contact the maintainer to update python-ase in jessie. 3. For the purpose of packaging I'm installing both gpaw-setups and python-ase (on jessie amd64) from http://download.opensuse.org/repositories/home:/dtufys/Debian_7.0/amd64/ and getting an error from debuild -us -uc: ... dpkg-source: info: building gpaw using existing ./gpaw_0.10.0.11364.orig.tar.gz dpkg-source: info: local changes detected, the modified files are: gpaw-0.10.0.11364/configuration.log ... It looks to me like the configuration.log file, which is written during compilation of gpaw is treated as a source modification. I'm using the following debian/rules # #!/usr/bin/make -f DH_VERBOSE=1 PYTHON2=$(shell pyversions -vr) %: dh $@ --buildsystem=python_distutils --with=python2 test-python%: set -ex && mkdir tmp && cd tmp && \ PYTHONPATH=../ python$* ../tools/gpaw-test && \ cd - && rm -rf tmp; \ override_dh_auto_test: $(PYTHON2:%=test-python%) # Any suggestions? Best regards, Marcin What's next? I guess you have many users asking for this - why not updating the documentation with ALL necessary steps? Please provide a patch for the docs which seem to be clear to you. It is sometimes hard for people to write docs who passed all this hurdles long time ago. Kind regards Andreas. -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
Hi, On 05/05/2015 03:49 PM, Andreas Tille wrote: On Mon, May 04, 2015 at 05:34:22PM +0200, Marcin Dulak wrote: 1. subscribed to https://lists.debian.org/debian-science/ 2. created account at https://alioth.debian.org/ 3. uploaded the public key at https://alioth.debian.org/account/editsshkeys.php I'm unable to ssh after 24 hours (by the way to ssh where? I'm trying to git.debian.org) maybe due to the fact, as the https://wiki.debian.org/Alioth/SSH states: "You have to be a member of at least one project to be able to login via ssh" I'm unable to figure out how to add myself to a project (I guess debian science?) After login in to the web interface of alioth you should find a link to ask for membership. You will find it when going to https://alioth.debian.org/projects/debian-science/ in the end of the list of members on the right. thanks to https://lists.debian.org/debian-science/2015/05/msg00027.html i managed to create a repository for gpaw at http://anonscm.debian.org/cgit/debian-science/packages/gpaw.git (for the moment it's empty), but encountered several problems when trying to created a package locally on a jessie amd64: 1. gpaw depends on gpaw-setups (https://wiki.fysik.dtu.dk/gpaw/setups/setups.html) which is ~50MB of data without which gpaw won't work. gpaw and gpaw-setups are versioned separately and gpaw-setups are updated separately from gpaw upstream. Should I open a separate ITP for gpaw-setups? 2. gpaw depends on python-ase, which, in jessie: "E: Package 'python-ase' has no installation candidate". python-ase is somehow present in wheezy, but very outdated. I'm trying to contact the maintainer to update python-ase in jessie. 3. For the purpose of packaging I'm installing both gpaw-setups and python-ase (on jessie amd64) from http://download.opensuse.org/repositories/home:/dtufys/Debian_7.0/amd64/ and getting an error from debuild -us -uc: ... dpkg-source: info: building gpaw using existing ./gpaw_0.10.0.11364.orig.tar.gz dpkg-source: info: local changes detected, the modified files are: gpaw-0.10.0.11364/configuration.log ... It looks to me like the configuration.log file, which is written during compilation of gpaw is treated as a source modification. I'm using the following debian/rules # #!/usr/bin/make -f DH_VERBOSE=1 PYTHON2=$(shell pyversions -vr) %: dh $@ --buildsystem=python_distutils --with=python2 test-python%: set -ex && mkdir tmp && cd tmp && \ PYTHONPATH=../ python$* ../tools/gpaw-test && \ cd - && rm -rf tmp; \ override_dh_auto_test: $(PYTHON2:%=test-python%) # Any suggestions? Best regards, Marcin What's next? I guess you have many users asking for this - why not updating the documentation with ALL necessary steps? Please provide a patch for the docs which seem to be clear to you. It is sometimes hard for people to write docs who passed all this hurdles long time ago. Kind regards Andreas. -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
On Mon, May 04, 2015 at 05:34:22PM +0200, Marcin Dulak wrote: > > 1. subscribed to https://lists.debian.org/debian-science/ > 2. created account at https://alioth.debian.org/ > 3. uploaded the public key at > https://alioth.debian.org/account/editsshkeys.php > > I'm unable to ssh after 24 hours (by the way to ssh where? I'm > trying to git.debian.org) maybe > due to the fact, as the https://wiki.debian.org/Alioth/SSH states: > "You have to be a member of at least one project to be able to login > via ssh" > I'm unable to figure out how to add myself to a project (I guess > debian science?) After login in to the web interface of alioth you should find a link to ask for membership. You will find it when going to https://alioth.debian.org/projects/debian-science/ in the end of the list of members on the right. > What's next? I guess you have many users asking for this - why not > updating the documentation with ALL necessary steps? Please provide a patch for the docs which seem to be clear to you. It is sometimes hard for people to write docs who passed all this hurdles long time ago. Kind regards Andreas. -- http://fam-tille.de -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
Hi, i've: 1. subscribed to https://lists.debian.org/debian-science/ 2. created account at https://alioth.debian.org/ 3. uploaded the public key at https://alioth.debian.org/account/editsshkeys.php I'm unable to ssh after 24 hours (by the way to ssh where? I'm trying to git.debian.org) maybe due to the fact, as the https://wiki.debian.org/Alioth/SSH states: "You have to be a member of at least one project to be able to login via ssh" I'm unable to figure out how to add myself to a project (I guess debian science?) What's next? I guess you have many users asking for this - why not updating the documentation with ALL necessary steps? Marcin On 04/25/2015 08:50 AM, Andreas Tille wrote: Hi Marcin, On Fri, Apr 24, 2015 at 11:48:32PM +0200, Marcin Dulak wrote: Well, I added it to the physics task of Debian Science but there is not yet sufficient information to create its entry. If you could decide to push your packaging stuff to Debian Science VCS and it will be available on the tasks pages after the next (daily) cron job. can you point me to a documentation that describes how to achieve that? There is the Debian Science Policy Manual at https://debian-science.alioth.debian.org/debian-science-policy.html Its not perfectly maintained but if you have questions feel free to ask on the Debian Science mailing list. Subscribing this list and asking specific questions there is (strongly) recommended. Kind regards Andreas. -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
Hi Marcin, On Fri, Apr 24, 2015 at 11:48:32PM +0200, Marcin Dulak wrote: > >Well, I added it to the physics task of Debian Science but there is not > >yet sufficient information to create its entry. If you could decide to > >push your packaging stuff to Debian Science VCS and it will be available > >on the tasks pages after the next (daily) cron job. > can you point me to a documentation that describes how to achieve that? There is the Debian Science Policy Manual at https://debian-science.alioth.debian.org/debian-science-policy.html Its not perfectly maintained but if you have questions feel free to ask on the Debian Science mailing list. Subscribing this list and asking specific questions there is (strongly) recommended. Kind regards Andreas. -- http://fam-tille.de -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
On 04/24/2015 11:02 PM, Andreas Tille wrote: Hi Marcin, On Fri, Apr 24, 2015 at 06:52:40PM +0200, Marcin Dulak wrote: On 04/15/2015 01:32 PM, Andreas Tille wrote: Hi Marcin, it seems this package is a nice target for the Debian Science team. So I'mm CCing the Debian Science list and hope you will consider to maintain this package inside the team. In this case you could profit >from Sponsering of Blends https://wiki.debian.org/DebianPureBlends/SoB I guess the GPAW's place is here: https://wiki.debian.org/DebianScience/Physics Hmmm, no idea whether somebody really cares about this page. Last change was >2.5 years ago. There are already two similar packages there: Abinit, Openmx. But in order to understand how blends work (after reading few chapters of http://blends.debian.org/blends/) a question: why nwchem (https://packages.debian.org/sid/nwchem) is not listed at https://wiki.debian.org/DebianScience/Chemistry ? Since nobody has added it? Seems here somebody has really done some edits after four years silence. I'd love to tear down these Wiki pages at all and I really wonder how you came to these Wiki pages after reading the Blends documention. Seems this needs even further enhancements. I wished you would have found http://blends.debian.org/science/tasks/ In any case how do we proceed further with GPAW? Well, I added it to the physics task of Debian Science but there is not yet sufficient information to create its entry. If you could decide to push your packaging stuff to Debian Science VCS and it will be available on the tasks pages after the next (daily) cron job. can you point me to a documentation that describes how to achieve that? Best regards, Marcin So the answer to your question: Now it depends on you. :-) If you find something that's missing on the tasks pages - just ask here on the mailing list. Kind regards Andreas. -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
Hi Marcin, On Fri, Apr 24, 2015 at 06:52:40PM +0200, Marcin Dulak wrote: > On 04/15/2015 01:32 PM, Andreas Tille wrote: > >Hi Marcin, > > > >it seems this package is a nice target for the Debian Science team. So > >I'mm CCing the Debian Science list and hope you will consider to > >maintain this package inside the team. In this case you could profit > >from Sponsering of Blends > > > >https://wiki.debian.org/DebianPureBlends/SoB > I guess the GPAW's place is here: > https://wiki.debian.org/DebianScience/Physics Hmmm, no idea whether somebody really cares about this page. Last change was >2.5 years ago. > There are already two similar packages there: Abinit, Openmx. > But in order to understand how blends work (after reading few > chapters of http://blends.debian.org/blends/) a question: > why nwchem (https://packages.debian.org/sid/nwchem) is not listed at > https://wiki.debian.org/DebianScience/Chemistry ? Since nobody has added it? Seems here somebody has really done some edits after four years silence. I'd love to tear down these Wiki pages at all and I really wonder how you came to these Wiki pages after reading the Blends documention. Seems this needs even further enhancements. I wished you would have found http://blends.debian.org/science/tasks/ > In any case how do we proceed further with GPAW? Well, I added it to the physics task of Debian Science but there is not yet sufficient information to create its entry. If you could decide to push your packaging stuff to Debian Science VCS and it will be available on the tasks pages after the next (daily) cron job. So the answer to your question: Now it depends on you. :-) If you find something that's missing on the tasks pages - just ask here on the mailing list. Kind regards Andreas. -- http://fam-tille.de -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
On 04/15/2015 01:32 PM, Andreas Tille wrote: Hi Marcin, it seems this package is a nice target for the Debian Science team. So I'mm CCing the Debian Science list and hope you will consider to maintain this package inside the team. In this case you could profit from Sponsering of Blends https://wiki.debian.org/DebianPureBlends/SoB I guess the GPAW's place is here: https://wiki.debian.org/DebianScience/Physics There are already two similar packages there: Abinit, Openmx. But in order to understand how blends work (after reading few chapters of http://blends.debian.org/blends/) a question: why nwchem (https://packages.debian.org/sid/nwchem) is not listed at https://wiki.debian.org/DebianScience/Chemistry ? In any case how do we proceed further with GPAW? Best regards, Marcin Thanks for working on this interesting package Andreas. On Tue, Apr 14, 2015 at 12:06:20AM +0200, Ubuntu Administrator wrote: Package: wnpp Severity: wishlist Owner: marcindulak * Package name: gpaw Version : 0.10.0.11364 Upstream Author : GPAW-community * URL : https://wiki.fysik.dtu.dk/gpaw/ * License : GPLv3+ Programming Lang: C, Python Description : DFT and beyond within the projector-augmented wave method GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods, atom-centered basis-functions or plane-waves. I actually maintain the GPAW packages for Debian 6, 7 and Ubuntu LTS under https://build.opensuse.org/package/show/home:dtufys/gpaw-0.10.0 but I would like GPAW gets officially into Debian. I need a sponsor. -- To UNSUBSCRIBE, email to debian-devel-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: https://lists.debian.org/20150413220620.2501.35976.report...@fys-win-bbot01.fysik.dtu.dk -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
Hi Marcin, it seems this package is a nice target for the Debian Science team. So I'mm CCing the Debian Science list and hope you will consider to maintain this package inside the team. In this case you could profit from Sponsering of Blends https://wiki.debian.org/DebianPureBlends/SoB Thanks for working on this interesting package Andreas. On Tue, Apr 14, 2015 at 12:06:20AM +0200, Ubuntu Administrator wrote: > Package: wnpp > Severity: wishlist > Owner: marcindulak > > * Package name: gpaw > Version : 0.10.0.11364 > Upstream Author : GPAW-community > * URL : https://wiki.fysik.dtu.dk/gpaw/ > * License : GPLv3+ > Programming Lang: C, Python > Description : DFT and beyond within the projector-augmented wave method > > GPAW is a density-functional theory (DFT) Python code based on the > projector-augmented wave (PAW) method and the atomic simulation environment > (ASE). It uses real-space uniform grids and multigrid methods, atom-centered > basis-functions or plane-waves. > > I actually maintain the GPAW packages for Debian 6, 7 and Ubuntu LTS under > https://build.opensuse.org/package/show/home:dtufys/gpaw-0.10.0 > but I would like GPAW gets officially into Debian. > > I need a sponsor. > > > -- > To UNSUBSCRIBE, email to debian-devel-requ...@lists.debian.org > with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org > Archive: > https://lists.debian.org/20150413220620.2501.35976.report...@fys-win-bbot01.fysik.dtu.dk > > -- http://fam-tille.de -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
Bug#782543: ITP: gpaw -- DFT and beyond within the projector-augmented wave method
Package: wnpp Severity: wishlist Owner: marcindulak * Package name: gpaw Version : 0.10.0.11364 Upstream Author : GPAW-community * URL : https://wiki.fysik.dtu.dk/gpaw/ * License : GPLv3+ Programming Lang: C, Python Description : DFT and beyond within the projector-augmented wave method GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods, atom-centered basis-functions or plane-waves. I actually maintain the GPAW packages for Debian 6, 7 and Ubuntu LTS under https://build.opensuse.org/package/show/home:dtufys/gpaw-0.10.0 but I would like GPAW gets officially into Debian. I need a sponsor. -- To UNSUBSCRIBE, email to debian-bugs-dist-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org
