Installing GSAS-II via conda (Anaconda Python)

Python enthusiasts are likely quite familiar with the ​Anaconda package manager. GSAS-II can be installed using a simple conda command, after installing ​anaconda or ​miniconda. We are recommending Python 3.7. With Python 3.8 or later, you will likely need to compile binaries. When this conda package is used, it ensures that the ​packages required by GSAS-II are installed, including subversion, and then subversion is used to download the latest version of GSAS-II from the APS server. This download will fail if your computer network requires a proxy (more info on proxies here), but rerunning the bootstrap.py command (see bottom of this page) will work after the proxy information is entered.

conda install gsas2pkg=1.1 -c briantoby

To use a separate conda environment for GSAS-II, use these commands to install GSAS-II:

conda create -n GSASII
conda install gsas2pkg=1.1 -c briantoby -n GSASII

Note that you may need to activate the environment manually before starting GSAS-II.

After the conda install completes, one of the following occurs:

• On the Mac, an app is created that can be dragged to the doc (or create a shortcut to GSAS-II.app and drag that anywhere).

• On Windows a desktop shortcut is created.

• On Linux (at present) the command-line is needed to start GSAS-II:

  <condapath>/bin/python <condapath>/GSASII/GSASII.py
  

Activating: If you get an error that conda is an unknown command, this means anaconda/miniconda is not in your path (which is my recommended way to install anaconda) and you will need to first use the ananconda activate command:

mac/linux:

source <condapath>/bin/activate

windows:

<condapath>\Scripts\activate

With GSAS-II in an environment, the activate command becomes ...activate GSASII

Python 2.7: We are no longer confirming that all sections of GSAS-II are compatible with Python 2.7 (but will usually fix problems, if reported). An older version of gsas2pkg is compatible with Python 2.7:

conda install gsas2pkg=1.0.6 -c briantoby 

GSAS-II Updates

Note that updates to GSAS-II are not integrated into conda and are not coupled to the specific versions of Python packages you have loaded. To obtain the latest version GSAS-II (you are strongly recommended to update regularly) use the Help/Update menu command or rerun the bootstrap.py script using this command:

<condapath>/bin/python <condapath>/GSASII/bootstrap.py