If Anaconda is your default Python install then it just works if you install the Microsoft Python extension. The following should work regardless of Python editor or if you need to point to a specific install: In settings.json edit python.path with something like 'python.pythonPath': 'C: Anaconda3 envs py34 python.exe'. Pip install 很慢 pip使用国内的源,如清华则是pip install-i torch 但是在使用时,可能会出现超时的现象,则可以设置为pip install-default-timeout=100torch 对于conda install 很慢的问题 添加如下代码,使用清华的源 c. Anaconda: The easiest way to install the packages described in this post is with the conda command line tool in Anaconda Distribution. If you are new to Anaconda Distribution, the recently released Version 5.0 is a good place to start, but older versions of Anaconda Distribution also can install the packages described below.
License and citation request
Kwant is free software covered by the 2-clause BSD license.
If you have used Kwant for work that has lead to a scientific publication,please cite the Kwant paper and possibly other relevant publications.
Prerequisites
In order to use Kwant you will need to install a distribution of the Pythonlanguage. If you are using a GNU/Linux operating system this should already beinstalled on your computer.
Install Anaconda On Mac Using Brew
If you are using Mac OS X or Microsoft Windows you will need to install aPython distribution yourself. Details of how to do this are in theinstallation instructions of the corresponding platform.
Kwant version 1.2 and newer requires at least Python 3.4.
Those who must use Python 2 can still use Kwant up to version 1.1,which will receive bug fixes for several yearsafter 2015 (but no new features).
The instructions below assume Python 3. They should be also valid for Python2 if all occurrences of python3, pip3, etc. are replaced bypython, pip.
Platforms
Installation instructions are available for the major operating systems:
GNU/Linux
Pre-built packages exist for the following distributions:
We also provide Conda packages for users of the Anaconda Python distribution. This is a usefuloption if you do not have root privileges on the machine where you would liketo install Kwant (e.g. on a computing cluster).
If your distribution is not listed above, and you do not want to use theConda packages, you can always install Kwant using pip. Or by directlybuilding from source.
Debian and derivatives
The easiest way to install Kwant on a Debian system is using the pre-builtpackages we provide. We target Debian 'stable', but our packages may also workon many other recent Debian-derived distributions as well.
The following instructions will install Kwant on Debian stable 'buster'.They need to be executed as root.
Add the following lines to /etc/apt/sources.list:
(Optional) Add the OpenPGP key used to sign the repositories by executing:
The fingerprint of the key is 5229 9057 FAD7 9965 3C4F 088A C3F1 47F5 980F3535.
Update the package data, and install Kwant:
The python-kwant-doc package is optional and installs the HTMLdocumentation of Kwant in the directory /usr/share/doc/python-kwant-doc.
Ubuntu and derivatives
The easiest way to install Kwant on an Ubuntu system is using the pre-builtpackages we provide. Execute the following commands in a terminal:
This should provide up-to-date Kwant for all recent versions of Ubuntu,up to at least the last LTS version. The HTMLdocumentation will be installed locally in the directory/usr/share/doc/python-kwant-doc.
Debian or Ubuntu: building packages from source
It is straightforward to build Debian/Ubuntu packages from source. This can beuseful when the installation from pre-built packages has failed for somereason (e.g. for non-x86 CPUs).
As a prerequisite, a deb-src entry for Kwant is needed in/etc/apt/sources.list. (It will be present if either of the aboveinstructions for Debian or for Ubuntu have been followed.)
FIrst, install the build dependencies (as root):
Then, compile Tinyarray and Kwant. This may be done as a normal user.
Finally, install the built packages (again as root):
Arch Linux
Arch install scripts for Kwant are kindly provided byJörg Behrmann (formerly by Max Schlemmer). To install, follow the Arch UserRepository installation instructions.Note that for checking the validity of the package you need to add the keyused for signing to your user's keyring via:
The fingerprint of the key is 5229 9057 FAD7 9965 3C4F 088A C3F1 47F5 980F3535.
Mac OS X
Pre-built packages for Max OS X exist for the Conda packagemanager, which is a part of the Anaconda Python distribution.Using Conda is the recommended way to install Kwant on Mac OS X.
If you do not want to use the Conda packages, you can always install Kwantusing pip. Or by directly building from source.
We previously maintained Homebrew and Macports packages for Kwant, but due toeffort required to keep them up to date we have dropped support for theseinstallation methods. We recommend that people use the Conda packageswhenever possible.
Microsoft Windows
Install Anaconda On Virtual Machine
Pre-built packages for Microsoft Windows exist for the Condapackage manager, which is a part of the Anaconda Python distribution.Using Conda is the recommended way to install Kwant on Microsoft Windows.
We previously recommended using that Kwant packages built byChristoph Gohlke, however due to the complexity of the installationinstructions the Conda packages are preferred. Installation of thepackage provided by Christoph Gohlke is only needed if the integrationwith MUMPS is required (as this is still not available for the Conda packages).
The instructions for installing the alternative package are included below
Alternative Package
The following instructions explain how to install the official versionof Python 3, Kwant, and its dependencies.
Determine whether you have a 32-bit or 64-bit Windows installation byfollowing these instructions.
Download and install Python 3 for the appropriate architecture (32-bit: “x86” or64-bit: “x86-64”) from the official Python download site for Windows. The current stable versionat the time of writing is Python 3.6.
Open a command prompt, as described in 'How do I get a command prompt' atthe Microsoft Windows website.
In the command prompt window, execute:
(Instead of typing this command, you can also just copy it from here andpaste it into the command prompt window). If you did not use the defaultlocation to install Python in step 2, then replace C:Python36 by theactual location where Python is installed. You may also need to adjust theversion (“36” signifies Python 3.6).
Reboot your computer.
Download the necessary packages (with the ending .whl) for youroperating system (32 or 64 bit) and Python version (e.g. cp35 forPython 3.5) from the website of Christoph Gohlke. For Kwant, we recommend todownload at least NumPy, SciPy, Matplotlib, Sympy, MPMath, Pytest, Six, Tinyarray, and Kwant itself. Make sure toput the downloaded files into a directory without any other .whl files.
Open a command prompt with administrator rights, as described in “How do Irun a command with elevated permissions” at the Microsoft Windows website.
Go to the directory with the .whl files, e.g.:
To install all the .whl-files in the current directory, execute
The above cryptic command is equivalent to pip install --no-deps*.whl, i.e. it installs all the wheel files in the current directoryusing pip. Because the Windows command interpreter does not support globs,we have to rely on the globbing as provided by Python itself.
Now you are done, you can import kwant from within Python scripts.
(Note that many other useful scientific packages are available in Gohlke’srepository. For example, you might want to install IPython and its variousdependencies so that you can use the IPython notebook.)
If you do not want to use the Conda packages, you can always install Kwantusing pip. Or by directly building from source.
Conda
Conda is the package manager for the Anaconda Python distribution.
Kwant currently has Conda packages for GNU/Linux, Mac OS X, and Microsoft Windows.
Download the Python 3.6 version of Anaconda foryour platform and install it.
Execute the following command in a terminal:
The above command installs Kwant and all of its dependencies from theconda-forge channel.
pip
Caution!
Installing Kwant with pip is not easy because Kwant has severalnon-Python dependencies and requires a C compiler. These instructionsare provided for advanced users only.
pip is the standard Python package manager that downloads and installspackages from the Python package index.
Install the non-Python dependencies of Kwant: a C compiler, BLAS, Lapack,and (optionally) MUMPS (see Installing non-Python dependencies).
Execute the following command in a terminal:
The above command installs Kwant and all of its Python dependencies from thePython package index.
The latest development build of Kwant can be installed directly from Kwant'sGit repository:
Each of the above commands will perform a system-wide install (to/usr/local on Unix). Type pip3 help install for installation optionsand see pip documentation for a detaileddescription of pip.
Installing non-Python dependencies
As mentioned above, pip will not install any non-Python dependenciesrequired by Kwant. Kwant has several non-Python dependencies:
- a C compiler (e.g. gcc)
- BLAS
- Lapack
- MUMPS.
If you using a GNU/Linux system then your distribution probably has packagesfor these libraries; you will need to install the -dev or -devel versionsof the packages.
As an example, on a Debian or Ubuntu system, the followingcommand will install the non-Python dependencies of Kwant:
On Debian or Ubuntu systems the Kwant build scripts should find libraries thathave been installed in the above way automatically. This will be signaled atthe end of the build process as follows:
On other platforms it is possible that MUMPS is not linked against Kwant duringinstallation. If this is the case the build process must be configuredmanually by writing abuild.conf file. You can then tell pip to use this build.conf wheninstalling kwant:
Building from source
If no packages are available for the system you use, or if you would like tobuild Kwant from source for another reason (expert users may want to customizeKwant to use certain optimized versions of libraries), you can downloadthe source code and consult thedocumentation on how to install Kwant from source.