Ignore:
Timestamp:
Jan 13, 2021 10:44:23 PM (10 months ago)
Author:
toby
Message:

MPL 3.3.x fix; scripting docs

File:
1 edited

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  • trunk/GSASIIscriptable.py

    r4764 r4765  
    11081108=======================================
    11091109
    1110 It is assumed that most people using GSASIIscriptable will also want to use the GUI, noting that not all GSAS-II capabilities are not available by scripting (yet) and some would not make sense to implement without a graphical view of the data, for this the standard
     1110It is assumed that most people using GSASIIscriptable will also want to use the GUI, for this the standard
    11111111`installation instructions <https://subversion.xray.aps.anl.gov/trac/pyGSAS#Installationinstructions>`_ should be followed. The GUI includes all files needed to run scriptable.
    1112 
    1113 There may be times where it does make sense to install GSAS-II without all of the GUI components, for example on a compute server. As `described here
    1114 <https://gsas-ii.readthedocs.io/en/latest/packages.html#scripting-requirements>'_ the minimal python requirements are only numpy and scipy. It is assumed that
     1112Noting that not all GSAS-II capabilities are not available
     1113by scripting -- yet. Even if the scripting API were to be fully completed,
     1114there will still be some things that GSAS-II does
     1115with the GUI would be almost impossible to implement without a
     1116interactive graphical view of the data.
     1117
     1118Nonetheless, there may be times where it does make sense to install GSAS-II without all of the GUI components, for example on a compute server. As `described here
     1119<https://gsas-ii.readthedocs.io/en/latest/packages.html#scripting-requirements>`_ the minimal python requirements are only numpy and scipy. It is assumed that
    11151120anyone able to use scripting is well posed to install from the command line.
    11161121Below are example commands to install GSAS-II for use for scripting only.
    11171122
    1118 .. code-block::  bash
    1119 
    1120     bash ~/Downloads/Miniconda3-latest-MacOSX-x86_64.sh -b -p /loc/pyg2script
    1121     source /loc/pyg2script/bin/activate
    1122     conda install numpy scipy matplotlib pillow h5py hdf5 svn
    1123     svn co https://subversion.xray.aps.anl.gov/pyGSAS/trunk /loc/GSASII
    1124     python /loc/GSASII/GSASIIscriptable.py
    1125 
    1126 Some discussion on these commands follows. Note I have chosen to use the free
     1123Installing a minimal Python configuration: Note I have chosen below
     1124to use the free
    11271125miniconda installer from Anaconda, Inc., but there are also plenty of
    11281126other ways to install Python, Numpy and Scipy on Linux, Windows and MacOS.
     
    11301128(and perhaps others) as supplied by the Linux dist (``apt-get`` etc.).
    11311129
    1132 * the 1st command (bash) assumes that the appropriate version of Miniconda has been downloaded from https://docs.conda.io/en/latest/miniconda.html and ``/loc/pyg2script`` is where I have selected for python to be installed. You might want to use ``~/pyg2script``.
     1130.. code-block::  bash
     1131
     1132    bash ~/Downloads/Miniconda3-latest-<platform>-x86_64.sh -b -p /loc/pyg2script
     1133    source /loc/pyg2script/bin/activate
     1134    conda install numpy scipy matplotlib pillow h5py hdf5 svn
     1135
     1136Some discussion on these commands follows:
     1137
     1138* the 1st command (bash) assumes that the appropriate version of Miniconda has been downloaded from https://docs.conda.io/en/latest/miniconda.html and ``/loc/pyg2script`` is where I have selected for python to be installed. You might want to use something like ``~/pyg2script``.
    11331139* the 2nd command (source) is needed to access Python with miniconda.
    11341140* the 3rd command (conda) installs all possible packages that might be used by scripting, but matplotlib, pillow, and hdf5 are not commonly needed and could be omitted. The svn package is not needed (for example on Linux) where this has been installed in another way.
    1135 * the 4th command (svn) is used to download the GSAS-II software. ``/loc/GSASII`` is the location where I decided to install the software.
    1136 * the 5th command (python) is used to invoke GSAS-II scriptable for the first time, which is needed to load the binary files from the server.
     1141
     1142Once svn and Python has been installed and is in the path, use these commands to install GSAS-II:
     1143
     1144.. code-block::  bash
     1145
     1146    svn co https://subversion.xray.aps.anl.gov/pyGSAS/trunk /loc/GSASII
     1147    python /loc/GSASII/GSASIIscriptable.py
     1148
     1149Notes on these commands:
     1150
     1151* the 1st command (svn) is used to download the GSAS-II software. ``/loc/GSASII`` is the location where I decided to install the software. You can select something different.
     1152* the 2nd command (python) is used to invoke GSAS-II scriptable for the first time, which is needed to load the binary files from the server.
    11371153
    11381154=======================================
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