Package Details: python-kwant 1.4.1-1

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: 2019-04-15 13:35

Dependencies (10)

Required by (1)

Sources (2)

Latest Comments

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lobachevsky commented on 2016-12-29 11:36

Yes, after a lot of tinkering, I finally managed to fix this with mumps-seq. The problem there is the borked way they generate .so files from the .a
mumps-seq is sufficient, because kwant is (so far) singlethreaded.

I have a fixed version of mump-seq package, that I will upload (hopefully) soon. The problem is I did not commit early and often and the tabs in my fixed Makefile got messed up, so I have to fix that again. The fix was to simply adapt the Makefile from Debian's.
I will call my "fixed" version of mumps mumps-kwant and write to the maintainer of mumps-seq, so he can fix his package, in the meantime I will then fix the depend of python-kwant to my mumps version.
I should be able to get around to doing before the second week of January ends.

gerson commented on 2016-12-28 20:31

I've tried to add the (mumps5, mumps4, or mumps-seq) as suggested in the commend and kwant website. When using the mumps-seq we have to add _seq to some libraries. In all case it compiles, but when we run kwant, it either ignores mumps, or crashes when we call import kwant with a error message referring to MPICH. Did you manage to fix this?

lobachevsky commented on 2016-03-07 13:02

Hi, in principle it should be possible to get MUMPS support, but I haven't yet managed to actually getting it to work. It builds, but somehow the MUMPS support is still missing, as can be seen by a lot of skipped tests.

First, there is another missing dependency: aur/scotch
After installing that, you have to supply a build.conf, according to [1], so that the setup actually finds everything.

A sample build.conf that should make it compile is
[mumps]
libraries = zmumps mumps_common pord metis esmumps scotch scotcherr mpiseq gfortran
include_dirs = /usr/include/mumps-seq

Just put the build.conf in the same directory as the PKGBUILD.

You also need to patch the build function in the PKGBUILD by putting this in the first line of the function

cp "../build.conf" "$srcdir/kwant-$pkgver/build.conf"

so that the build.conf is actually in the appropriate directory at build time.

This will make the package compile without any errors, but the MUMPS-specific tests will still be skipped. I haven't had time to debug this yet, though. If you have a solution, please let me know.

[1] http://kwant-project.org/doc/1/pre/install

jmo commented on 2016-03-06 13:28

Is it possible to get MUMPS support using this package or do I have to build and install manually? I installed mumps-seq (5.0.1-1), but I get a message

******************************** Build summary ********************************
Default LAPACK and BLAS
No MUMPS support
*******************************************************************************