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AUTHORS.rst

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@@ -8,8 +8,8 @@ The principal developers of Kwant are
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* `Christoph Groth <mailto:[email protected]>`_ (CEA Grenoble)
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* `Michael Wimmer <https://michaelwimmer.org>`_ (TU Delft)
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* `Anton Akhmerov <http://antonakhmerov.org>`_ (TU Delft)
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* `Xavier Waintal <http://www.pheliqs.fr/en/Pages/Portrait/Xavier-Waintal.aspx>`_ (CEA Grenoble)
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* `Anton Akhmerov <https://antonakhmerov.org>`_ (TU Delft)
12+
* `Xavier Waintal <https://www.pheliqs.fr/en/Pages/Portrait/Xavier-Waintal.aspx>`_ (CEA Grenoble)
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* `Joseph Weston <https://joseph.weston.cloud>`_ (TU Delft)
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Contributors to Kwant include
@@ -34,7 +34,7 @@ Contributors to Kwant include
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We thank Christoph Gohlke for the creation of installers for Microsoft Windows.
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`CEA <http://www.cea.fr>`_ is the French Commissariat à l'énergie atomique et aux
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`CEA <https://www.cea.fr>`_ is the French Commissariat à l'énergie atomique et aux
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énergies alternatives. The CEA is the copyright holder for the contributions of
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C. W. Groth, X. Waintal, and its other employees involved in Kwant.
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CITING.rst

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@@ -15,7 +15,7 @@ cite the main paper that introduces Kwant:
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C. W. Groth, M. Wimmer, A. R. Akhmerov, X. Waintal,
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*Kwant: a software package for quantum transport*,
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`New J. Phys. 16, 063065 (2014)
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<https://iopscience.iop.org/1367-2630/16/6/063065/article>`_.
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<https://doi.org/10.1088/1367-2630/16/6/063065>`_.
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2020

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Other references we ask you to consider
@@ -26,7 +26,7 @@ also cite the upcoming paper that describes the relevant algorithms. The
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reference will also be added here once it is available.
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Kwant owes much of its current performance to the use of the `MUMPS
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<http://graal.ens-lyon.fr/MUMPS/>`_ library for solving systems of sparse linear
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<https://graal.ens-lyon.fr/MUMPS/>`_ library for solving systems of sparse linear
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equations. If you have done high-performance calculations, we suggest citing
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P. R. Amestoy, I. S. Duff, J. S. Koster, J. Y. L’Excellent, SIAM. J. Matrix

INSTALL.rst

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@@ -20,7 +20,7 @@ Obtaining the source code
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Source distributions of Kwant (and Tinyarray) are available at the `downloads
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section of the Kwant website <https://downloads.kwant-project.org/kwant/>`_ as well
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as `PyPI <https://pypi.python.org/pypi/kwant>`_. The sources may be also
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as `PyPI <https://pypi.org/project/kwant>`_. The sources may be also
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cloned directly from the `official Kwant git repository
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<https://gitlab.kwant-project.org/kwant/kwant>`_.
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@@ -31,31 +31,31 @@ Prerequisites
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Building Kwant requires
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* `Python <https://www.python.org/>`_ 3.6 or above (Kwant 1.1 is the last
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version to support Python 2),
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* `NumPy <http://numpy.org/>`_ 1.13.3 or newer,
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* `NumPy <https://numpy.org/>`_ 1.13.3 or newer,
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* `SciPy <https://www.scipy.org/>`_ 0.19.1 or newer,
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* `LAPACK <http://netlib.org/lapack/>`_ and `BLAS <http://netlib.org/blas/>`_,
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* `LAPACK <https://netlib.org/lapack/>`_ and `BLAS <https://netlib.org/blas/>`_,
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(For best performance we recommend the free `OpenBLAS
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<http://www.openblas.net/>`_ or the nonfree `MKL
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<https://www.openblas.net/>`_ or the nonfree `MKL
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<https://software.intel.com/en-us/intel-mkl>`_.)
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* `Tinyarray <https://gitlab.kwant-project.org/kwant/tinyarray>`_ 1.2 or newer,
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a NumPy-like Python package optimized for very small arrays,
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* An environment which allows to compile Python extensions written in C and
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C++.
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The following software is highly recommended though not strictly required:
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* `matplotlib <http://matplotlib.org/>`_ 2.1.1 or newer, for the module `kwant.plotter` and the tutorial,
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* `SymPy <http://sympy.org/>`_ 1.1.1 or newer, for the subpackage `kwant.continuum`.
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* `matplotlib <https://matplotlib.org/>`_ 2.1.1 or newer, for the module `kwant.plotter` and the tutorial,
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* `SymPy <https://sympy.org/>`_ 1.1.1 or newer, for the subpackage `kwant.continuum`.
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* `Qsymm <https://pypi.org/project/qsymm/>`_ 1.2.6 or newer, for the subpackage `kwant.qsymm`.
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* `MUMPS <http://graal.ens-lyon.fr/MUMPS/>`_, a sparse linear algebra library
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* `MUMPS <https://graal.ens-lyon.fr/MUMPS/>`_, a sparse linear algebra library
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that will in many cases speed up Kwant several times and reduce the memory
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footprint. (Kwant uses only the sequential, single core version
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of MUMPS. The advantages due to MUMPS as used by Kwant are thus independent
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of the number of CPU cores of the machine on which Kwant runs.)
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* The `py.test testing framework <http://pytest.org/>`_ 3.3.2 or newer for running the
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* The `py.test testing framework <https://docs.pytest.org/>`_ 3.3.2 or newer for running the
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tests included with Kwant.
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In addition, to build a copy of Kwant that has been checked-out directly from
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version control, you will also need `Cython <http://cython.org/>`_ 0.26.1 or
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version control, you will also need `Cython <https://cython.org/>`_ 0.26.1 or
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newer. You do not need Cython to build Kwant that has been unpacked from a
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source .tar.gz-file.
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@@ -128,7 +128,7 @@ The section ``[kwant.linalg._mumps]`` may be used to adapt the build process.
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Example ``build.conf`` for linking Kwant against a self-compiled MUMPS, `SCOTCH
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<http://www.labri.fr/perso/pelegrin/scotch/>`_ and `METIS
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<https://www.labri.fr/perso/pelegrin/scotch/>`_ and `METIS
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<http://glaros.dtc.umn.edu/gkhome/metis/metis/overview>`_::
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[mumps]
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==========================
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To build the documentation, the `Sphinx documentation generator
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<http://www.sphinx-doc.org/en/stable/>`_ is required with ``numpydoc`` extension
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<https://www.sphinx-doc.org/en/stable/>`_ is required with ``numpydoc`` extension
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(version 0.5 or newer), as well as ``jupyter-sphinx`` (version 0.2 or newer).
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If PDF documentation is to be built, the tools
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from the `libRSVG <https://wiki.gnome.org/action/show/Projects/LibRsvg>`_

README.rst

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Other computations involving tight-binding Hamiltonians can be implemented
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easily.
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See the `Kwant web site <http://kwant-project.org/>`_ for the latest stable
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See the `Kwant website <https://kwant-project.org/>`_ for the latest stable
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version. The current development version is available via the `Kwant gitlab
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instance <https://gitlab.kwant-project.org/kwant/kwant>`_. Contributions are
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welcome.
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A `mailing list <http://kwant-project.org/community>`_ exists for general
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A `mailing list <https://kwant-project.org/community>`_ exists for general
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discussions related to Kwant. Please report bugs and other issues using the
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`issue tracker <https://gitlab.kwant-project.org/kwant/kwant/issues>`_.
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RELEASE.rst

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@@ -338,7 +338,7 @@ Push the tag to the official Kwant repository::
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PyPI
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----
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Install `twine <https://pypi.python.org/pypi/twine>`_ and run the following
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Install `twine <https://pypi.org/project/twine>`_ and run the following
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(this requires a file ~/.pypirc with a valid username and password: ask
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Christoph Groth to add you as a maintainer on PyPI, if you are not already)::
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Version: 9.0
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Architectures: i386 amd64 source
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Components: main
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Description: Unofficial Debian package repository of http://kwant-project.org/
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Description: Unofficial Debian package repository of https://kwant-project.org/
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SignWith: C3F147F5980F3535
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Origin: Kwant project
@@ -391,7 +391,7 @@ sure to update the codenames and the versions)::
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Version: 10.0
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Architectures: i386 amd64 source
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Components: main
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Description: Unofficial Debian package repository of http://kwant-project.org/
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Description: Unofficial Debian package repository of https://kwant-project.org/
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SignWith: C3F147F5980F3535
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If the config had to be updated execute::

conftest.py

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#
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# This file is part of Kwant. It is subject to the license terms in the file
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# LICENSE.rst found in the top-level directory of this distribution and at
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# http://kwant-project.org/license. A list of Kwant authors can be found in
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# https://kwant-project.org/license. A list of Kwant authors can be found in
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# the file AUTHORS.rst at the top-level directory of this distribution and at
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# http://kwant-project.org/authors.
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# https://kwant-project.org/authors.
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"""Pytest plugin to ignore packages that have uninstalled dependencies.
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This ignores packages on test collection, which is required when the

doc/source/conf.py

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# -- Options for LaTeX output --------------------------------------------------
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# http://thread.gmane.org/gmane.comp.python.sphinx.devel/4220/focus=4238
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latex_elements = {'papersize': 'a4paper',
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'release': '',
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'releasename': '',
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@classmethod
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def can_document_member(cls, member, membername, isattr, parent):
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# Return True iff `member` is a bound method. Taken from
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# <http://stackoverflow.com/a/1260881>.
273+
# <https://stackoverflow.com/a/1260881>.
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return (isinstance(member, types.MethodType) and
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member.__self__ is not None and
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not issubclass(member.__self__.__class__, type) and

doc/source/figure/ab_ring_sketch.svg

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Loading

doc/source/figure/ab_ring_sketch2.svg

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doc/source/figure/superconductor_transport_sketch.svg

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Loading

doc/source/pre/whatsnew/0.2.rst

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@@ -21,7 +21,7 @@ New MUMPS-based solver
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----------------------
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The code for sparse matrix solvers has been reorganized and a new solver has
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been added next to `kwant.solvers.sparse`: `kwant.solvers.mumps`. The new
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solver uses the `MUMPS <http://graal.ens-lyon.fr/MUMPS/>`_ software package and
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solver uses the `MUMPS <https://graal.ens-lyon.fr/MUMPS/>`_ software package and
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is much (typically several times) faster than the UMFPACK-based old solver.
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In addition, MUMPS uses considerably less memory for a given system while at
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the same time it is able to take advantage of more than 2 GiB of RAM.

doc/source/pre/whatsnew/1.5.rst

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the text and code for each tutorial is kept in the same file, making
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it easy to see where changes need to be made, and images generated by
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the code are inserted directly into the document thanks to the magic of
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`jupyter-sphinx <https://github.com/jupyter-widgets/jupyter-sphinx/>`_.
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`jupyter-sphinx <https://github.com/jupyter/jupyter-sphinx/>`_.
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It has never been easier to get started contributing to Kwant by
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helping us improve our documentation.
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doc/source/reference/kwant.solvers.mumps.rst

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.. module:: kwant.solvers.mumps
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This solver uses `MUMPS <http://graal.ens-lyon.fr/MUMPS/>`_. (Only the
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This solver uses `MUMPS <https://graal.ens-lyon.fr/MUMPS/>`_. (Only the
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sequential, single core version of MUMPS is used.) MUMPS is a very efficient
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direct sparse solver that can take advantage of memory beyond 3GiB for the
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solution of large problems. Furthermore, it offers a choice of several

doc/source/tutorial/discretize.rst

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When working interactively in `Jupyter notebooks <https://jupyter.org/>`_
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it can be useful to use this to see a symbolic representation of
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the discretized Hamiltonian. This works best when combined with ``sympy``
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`Pretty Printing <http://docs.sympy.org/latest/tutorial/printing.html#setting-up-pretty-printing>`_.
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`Pretty Printing <https://docs.sympy.org/latest/tutorial/printing.html#setting-up-pretty-printing>`_.
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- The symbolic result of discretization obtained with
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``discretize_symbolic`` can be converted into a

doc/source/tutorial/first_steps.rst

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.. jupyter-execute::
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# Call the main function if the script gets executed (as opposed to imported).
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# See <http://docs.python.org/library/__main__.html>.
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# See <https://docs.python.org/library/__main__.html>.
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if __name__ == '__main__':
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main()
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doc/source/tutorial/spectrum.rst

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:hide-code:
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# Call the main function if the script gets executed (as opposed to imported).
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# See <http://docs.python.org/library/__main__.html>.
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# See <https://docs.python.org/library/__main__.html>.
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if __name__ == '__main__':
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main()
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doc/source/tutorial/spin_potential_shape.rst

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It turns out that this well studied Rashba-Hamiltonian has some peculiar
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properties in (ballistic) nanowires: It was first predicted theoretically
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in `Phys. Rev. Lett. 90, 256601 (2003)
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<http://prl.aps.org/abstract/PRL/v90/i25/e256601>`_ that such a system should
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<https://doi.org/10.1103/PhysRevLett.90.256601>`_ that such a system should
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exhibit non-monotonic conductance steps due to a spin-orbit gap. Only
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very recently, this non-monotonic behavior has been supposedly
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observed in experiment: `Nature Physics 6, 336 (2010)
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<http://www.nature.com/nphys/journal/v6/n5/abs/nphys1626.html>`_. Here
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<https://doi.org/10.1038/nphys1626>`_. Here
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we will show that a very simple extension of our previous examples will
4545
exactly show this behavior (Note though that no care was taken to choose
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realistic parameters).
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4848
The tight-binding model corresponding to the Rashba-Hamiltonian naturally
4949
exhibits a 2x2-matrix structure of onsite energies and hoppings. In order to
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use matrices in our program, we import the Tinyarray package. (`NumPy
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<http://www.numpy.org/>`_ would work as well, but Tinyarray is much faster
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<https://numpy.org/>`_ would work as well, but Tinyarray is much faster
5252
for small arrays.)
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.. jupyter-execute::
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6161
# ------------------
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# Gaps in quantum wires with spin-orbit coupling and Zeeman splititng,
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# as theoretically predicted in
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# http://prl.aps.org/abstract/PRL/v90/i25/e256601
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# https://doi.org/10.1103/PhysRevLett.90.256601
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# and (supposedly) experimentally oberved in
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# http://www.nature.com/nphys/journal/v6/n5/abs/nphys1626.html
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# https://doi.org/10.1038/nphys1626
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#
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# Kwant features highlighted
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# --------------------------

doc/sphinxext/kwantdoc.py

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#
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# This file is part of Kwant. It is subject to the license terms in the file
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# LICENSE.rst found in the top-level directory of this distribution and at
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# http://kwant-project.org/license. A list of Kwant authors can be found in
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# https://kwant-project.org/license. A list of Kwant authors can be found in
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# the file AUTHORS.rst at the top-level directory of this distribution and at
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# http://kwant-project.org/authors.
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# https://kwant-project.org/authors.
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"""Simple sphinx extension that allows for a section that can be
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hidden/shown on click using javascript"""

doc/templates/layout.html

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{%- block doctype -%}
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<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN"
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"http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
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"https://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
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{%- endblock %}
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{%- set reldelim1 = reldelim1 is not defined and ' &raquo;' or reldelim1 %}
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{%- set reldelim2 = reldelim2 is not defined and ' |' or reldelim2 %}
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{%- if not loop.first %}{{ reldelim2 }}{% endif %}</li>
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{%- endfor %}
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{%- block rootrellink %}
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<li><a href="http://kwant-project.org/">
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<li><a href="https://kwant-project.org/">
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<img src="{{ pathto('_static/kwant_logo.png', 1) }}"
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style="vertical-align: middle; margin-top: -4px" alt="Kwant logo"/></a>
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{{ reldelim1 }}</li>
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{%- endfor %}
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{%- endmacro %}
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<html xmlns="http://www.w3.org/1999/xhtml" lang="en">
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<html xmlns="https://www.w3.org/1999/xhtml" lang="en">
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<head>
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<meta http-equiv="Content-Type" content="text/html; charset={{ encoding }}" />
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{{ metatags }}
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{% trans last_updated=last_updated|e %}Last updated on {{ last_updated }}.{% endtrans %}
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{%- endif %}
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{%- if show_sphinx %}
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{% trans sphinx_version=sphinx_version|e %}Created using <a href="http://sphinx.pocoo.org/">Sphinx</a> {{ sphinx_version }}.{% endtrans %}
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{% trans sphinx_version=sphinx_version|e %}Created using <a href="https://www.sphinx-doc.org/">Sphinx</a> {{ sphinx_version }}.{% endtrans %}
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{%- endif %}
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</div>
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{%- endblock %}
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g.defer=true; g.async=true; g.src=u+"piwik.js"; s.parentNode.insertBefore(g,s);
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})();
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</script>
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<noscript><img src="http://piwik.kwant-project.org/piwik.php?idsite=1&amp;rec=1" style="border:0" alt="" /></noscript>
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<noscript><img src="https://piwik.kwant-project.org/piwik.php?idsite=1&amp;rec=1" style="border:0" alt="" /></noscript>
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<!-- End Piwik Code: Analytics are used by us to improve the site, and not sent to anyone. -->
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{%- endif %}
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</body>

docker/Dockerfile.debian

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RUN apt-get update && apt-get install -y --no-install-recommends \
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gnupg dirmngr apt-transport-https ca-certificates curl software-properties-common
99

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RUN echo "deb http://downloads.kwant-project.org/debian/ stable main" >> /etc/apt/sources.list && \
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RUN echo "deb https://downloads.kwant-project.org/debian/ stable main" >> /etc/apt/sources.list && \
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apt-key adv --no-tty --keyserver pool.sks-keyservers.net --recv-key C3F147F5980F3535 && \
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apt-get update && apt-get install -y --no-install-recommends \
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# all the hard non-Python dependencies

kwant/__init__.py

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#
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# This file is part of Kwant. It is subject to the license terms in the file
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# LICENSE.rst found in the top-level directory of this distribution and at
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# http://kwant-project.org/license. A list of Kwant authors can be found in
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# https://kwant-project.org/license. A list of Kwant authors can be found in
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# the file AUTHORS.rst at the top-level directory of this distribution and at
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# http://kwant-project.org/authors.
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# https://kwant-project.org/authors.
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__all__ = []
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kwant/_colormaps.py

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#
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# This file is part of Kwant. It is subject to the license terms in the file
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# LICENSE.rst found in the top-level directory of this distribution and at
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# http://kwant-project.org/license. A list of Kwant authors can be found in
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# https://kwant-project.org/license. A list of Kwant authors can be found in
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# the file AUTHORS.rst at the top-level directory of this distribution and at
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# http://kwant-project.org/authors.
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# https://kwant-project.org/authors.
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import numpy as np
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kwant/_common.py

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#
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# This file is part of Kwant. It is subject to the license terms in the file
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# LICENSE.rst found in the top-level directory of this distribution and at
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# http://kwant-project.org/license. A list of Kwant authors can be found in
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# https://kwant-project.org/license. A list of Kwant authors can be found in
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# the file AUTHORS.rst at the top-level directory of this distribution and at
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# http://kwant-project.org/authors.
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# https://kwant-project.org/authors.
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import sys
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import numpy as np

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