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uw-cmg / MAST

MAterials Simulation Toolkit for use with pymatgen
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Wei installation doc comment 3 #404

Open cmgtam opened 10 years ago

cmgtam commented 10 years ago

3 verify setup tools (easy_install) and pip. See suggestion 5 below

verify or install numpy and scipy
it is actually quite difficult to install a working numpy for a existing python . I suggest we make a note in step 2 “verify your python version” that we strongly suggest using a python distribution like EPD/Canopy and ActivePython even your system already has a python installed whose version is correct. Python is now included as part of the operating system for most unix and unix-like distributions (e.g., Fedora, OpenSUSE, RedHat, and Ubuntu), but installing numpy for the as-delivered python in them is non-trivial.

verify or install pymatgen and custodian
I suggest downloading pymatgen and custodian source code package from PyPI, untar them and install by calling “python setup.py install” in the downloaded source folder because: 1) I found installing using pip or easy_install usually give outdated version; 2) installing from source can avoid any issue with pip and/or setup tools (so step 3 verify setup tools ( easy_install) and pip can be neglected); 3) if we install pymatgen in this way, it is not necessary to install the “distribute” package, which is now deprecated and will often corrupt the system’s setup tools (easy_install).
cmgtam commented 10 years ago

Committed changes to #403 by accident.