Package Details: python-kwant 1.3.3-1

Git Clone URL: https://aur.archlinux.org/python-kwant.git (read-only)
Package Base: python-kwant
Description: Python package for numerical calculations on tight-binding models with a strong focus on quantum transport
Upstream URL: http://kwant-project.org/
Licenses: BSD
Submitter: lobachevsky
Maintainer: lobachevsky
Last Packager: lobachevsky
Votes: 0
Popularity: 0.000000
First Submitted: 2015-12-19 16:09
Last Updated: 2018-10-28 17:53

Latest Comments

1 2 Next › Last »

lobachevsky commented on 2018-10-28 17:50

The reason is that the pyx-files of kwant 1.3.2 were cythonized with a Cython version that did not yet support Python 3.7.

This is fixed in upstream version 1.3.3, whose release I missed (I'm running the git version myself). Sorry for that. I'll push a new package version in a minute.

lobachevsky commented on 2018-10-28 17:39

Hi gerson,

sorry for the late reply. I'll investigate.

gerson commented on 2018-10-21 18:27

I had trouble installing from AUR again. But I'm not sure what is failing, so I'm pasting part of the error message at the end of this comment.

I've managed to install it using pip (--user), which downloads version 1.3.3.

kwant/_system.c:33652:21: error: ‘PyThreadState’ {aka ‘struct _ts’} has no member named ‘exc_type’; did you mean ‘curexc_type’?
    *type = tstate->exc_type;
                    ^~~~~~~~
                    curexc_type

lobachevsky commented on 2017-10-09 20:39

Thanks for the comment! I saw it in the docs, but somehow forgot to add it.

rskolasinski commented on 2017-10-09 19:17

Hi Guys, I just wanted to mention that since Kwant 1.3 sympy is an optional dependency as well required to use kwant.continuum module.

It is awesome to see Kwant in AUR! ;)

gerson commented on 2017-01-31 18:23

Yes, you are right. Multi-thread is working perfectly with the AUR package openblas-lapack and mumps-seq-shared. Thanks again! It is perfect now.

lobachevsky commented on 2017-01-30 12:49

Hi Gerson,

thank's about the hint for build.conf. I missed that, since it built on my machine. I'll fix that.

About which mumps to build against: Kwant itself is not parallel in any sense, as of yet, so building mumps with any MPI support is of little use; mumps-seq uses a shim to pretend something like MPI existed without the actual need for an MPI installation.
You can build mumps with OpenMP support, though [1], which is more akin to what you want, because it allows Mumps to work in a multi-threaded manner. You will also need an OpenMP-capable BLAS, though.

[1] section 3.12 http://mumps.enseeiht.fr/doc/userguide_5.0.2.pdf

gerson commented on 2017-01-30 12:07

Hi Lobachevsky, thanks for the update. But there's still something to fix.

The include dir is pointing to mumps-seq, and not to mumps-seq-shared. I had to edit the build.conf to fix this. After this, it works.

But also and more importantly, I think we should compile it with mumps, not mumps-seq. In my desktop I'm running Arch and this AUR version of kwant, but on my server I'm running Ubuntu. I can tell you that the Ubuntu version is running in multi-core, while this AUR version is running in a single core. I'm guessing it is due to mumps vs mumps-seq.

lobachevsky commented on 2017-01-26 14:51

Hi Gerson,

thanks for the reminder, I am a bit swamped and completely forgot about this, but your message yesterday reminded me and you can try the new version of the package, which should point you to the package mumps-seq-shared.

Taking a hint from how Debian builds the package I patch the Makefiles of mumps to build a shared library version against which kwant is able to build.

Have fun!

gerson commented on 2017-01-25 11:28

Hi Lobachevsky, any news on the mumps-seq fix? Recently, there was an update of the mumps-seq package, but it seems that it was not related to the kwant issue.