Package Details: python-kwant 1.4.1-1

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Package Base: python-kwant
Description: Python package for numerical calculations on tight-binding models with a strong focus on quantum transport
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Licenses: BSD
Submitter: lobachevsky
Maintainer: lobachevsky
Last Packager: lobachevsky
Votes: 0
Popularity: 0.000000
First Submitted: 2015-12-19 16:09
Last Updated: 2019-04-15 13:35

Dependencies (10)

Required by (1)

Sources (2)

Latest Comments

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lobachevsky commented on 2019-12-17 12:33

Hi hunar1997,

sorry for the late reply, I've missed the AUR mail.

I do get the same failing test you described and I will have a look at it before Christmas and report it upstream, if that hasn't happened already. I guess the problem might come from Python 3.8, because I also saw a lot of deprecation warnings during the build process.

That you can install it via pip is not surprising, because the package builds, it might just not be correct. :)

hunar1997 commented on 2019-12-11 08:23

It fails to build
kwant/tests/ .....F

=========== 1 failed, 349 passed, 1104 warnings in 74.78s (0:01:14) ============ ==> ERROR: A failure occurred in check().

I could install kwant using (pip3 install kwant --user) but couldnt get MUMPS to work that way

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;

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

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.