Installation Guide for ErwinJr2¶
The software is based on Python (>=3.6).
For the Python distributions, it is recommended to use Anaconda
for Windows and homebrew installed Python3 for MacOS.
In the page the python command may be python3 depending on your platform.
Simple Installation¶
In most cases you can have the software out-of-box from pip, assuming you
already have python installed.
Fist to make sure you have the latest pip installed:
python -m pip install pip --upgrade
Than install ErwinJr2 by:
python -m pip install ErwinJr2
Now you can start the software via
ErwinJr
or if you want to, you can create a shortcut on the desktop via
ErwinJr-genshortcut
For reasonably new versions of Windows or MacOS with x86_64 CPU, the compiled
library is provided via pip installation. For Linux or other platform, it
should be compiled automatically if gcc and make are provided.
Otherwise if the compiled library may not work,
you may see C library is not compiled. Features are limited. when starting
the software from command line.
If you are a developer and want to compile the software locally, the following
is a beginers guide.
The software is available as source code in Github:
https://github.com/CareF/ErwinJr2 .
You can directly donwload as a zip file, or using git clone to clone the
repository, which helps to get further updates.
Prepare the environment¶
The software uses setuptools for installation.
Make sure you have the latest version of setuptools installed:
python -m pip install setuptools, wheel --upgrade
If you are not installing the software on a remote server, you may also want to
install PyQt5 for GUI support:
python -m pip install pyqt5
The software requires some compiled components for best performance.
The default compiler depends on GNU gcc and make, and optionally openMP.
These compiling environment depends on the Operating System.
Windows¶
For Windows the support for GNU compilers may not be easy, but we can use Visual Studio
instead. To do so, set the MSBUILD environment variable to the corresponding
directory for example:
set MSBUILD=C:\Program Files (x86)\Microsoft Visual Studio\2017\Community\MSBuild\15.0\Bin\MSBuild.exe
Note that the C:\Program Files (x86)\... path depends on where you install
Visual Studio on your computer (See more in MSBuild).
With the environment variable the following command should be able to call
Visual Studio for the compilation.
python setup.py install
MacOS¶
If you haven’t installed xcode, run the following command:
xcode-select —-install
It is recommended to have openMP installed for the best performance.
For MacOS specifically, the default gcc is a alias to the native clang,
we recommend install via homebrew for gcc before install
brew install gcc
and use gcc as the compiler by
CC=gcc-10 python setup.py install
where gcc-10 is the current latest version by depending on your install
it may be other number.
Linux¶
By default most Linux distributions have necessary dev-tools installed, but
openMP is not necessarily so. If you are using Linux I’m sure you will be
able to install packages via corresponding package management tools :)
To install the software, at the code directory, run
python setup.py install
If you don’t have full control of your system, add --user by the end to
install the software in user directory.
Run the software¶
After installation, you can start the software by ErwinJr command or
python -m ErwinJr2
To create a shortcut on desktop, run
ErwinJr-genshortcut
Run the software without installation¶
Sometimes you may want to run the software without install it to the Python package directory, especially if you want to change the source code. You can manually build the C library by
cd [PATH_TO_THE_CODE]/ErwinJr2/OneDQuantum
make
make MP
And run the software via
cd [PATH_TO_THE_CODE]
PYTHONPATH=[PATH_TO_THE_CODE] python ErwinJr2
Build local documentation¶
The software will look for this online document. but if you want to build your local version, you need doxygen and:
cd docs
python -m install -r requirements.txt
make html