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Even more simplifications to README to maintain just a single page.

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1 parent 4296b3a commit f009e808ba1dfe6f8f3c269154a95247bdfa4bd0 @shyuep shyuep committed Feb 9, 2014
Showing with 11 additions and 77 deletions.
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88 README.rst
@@ -69,19 +69,17 @@ several advantages over other codes out there:
Getting pymatgen
================
-.. note:: Preparation
-
- Before installing pymatgen, you may need to first install a few critical
- dependencies manually.
-
- 1. Numpy's distutils is needed to compile the spglib and pyhull
- dependencies. This should be the first thing you install.
- 2. Pyhull and PyCifRW. The recent versions of pip does not allow the
- installation of externally hosted files. Furthermore,
- there are some issues with easy_install for these extensions. Install
- both these dependencies manually using "pip install <package>
- --allow-external <package> --allow-unverified <package>".
-
+Before installing pymatgen, you may need to first install a few critical
+dependencies manually. Please refer to the official `pymatgen page`_ for
+installation details and requirements.
+
+1. Numpy's distutils is needed to compile the spglib and pyhull
+ dependencies. This should be the first thing you install.
+2. Pyhull and PyCifRW. The recent versions of pip does not allow the
+ installation of externally hosted files. Furthermore,
+ there are some issues with easy_install for these extensions. Install
+ both these dependencies manually using "pip install <package>
+ --allow-external <package> --allow-unverified <package>".
Stable version
--------------
@@ -128,70 +126,6 @@ installed and then just type::
in the pymatgen root directory.
-Requirements
-============
-
-All required dependencies should be automatically taken care of if you
-install pymatgen using easy_install or pip. Otherwise, these packages should
-be available on `PyPI <http://pypi.python.org>`_.
-
-1. Python 2.7+ required. New default modules such as json are used, as well as
- new unittest features in Python 2.7.
-2. numpy - For array, matrix and other numerical manipulations. Used extensively
- by all core modules.
-3. pyhull 1.3.6+: For generation of phase diagrams.
-4. PyCifRW 3.3+: For reading and writing Crystallographic Information Format
- (CIF) files.
-5. requests 1.0+: For the high-level interface to the Materials API.
-6. monty 0.1.1+: For some common complementary functions,
- design patterns (e.g., singleton) and decorators to the Python
- standard library.
-
-Optional dependencies
----------------------
-
-Optional libraries that are required if you need certain features:
-
-1. scipy 0.10+ (highly recommended): For use in Gaussian smearing.
-2. matplotlib 1.1+ (highly recommended): For plotting (e.g., Phase Diagrams).
-3. VTK with Python bindings 5.8+ (http://www.vtk.org/): For visualization of
- crystal structures using the pymatgen.vis package.
-4. Atomistic Simulation Environment or ASE 3.6+: Required for the usage of the
- adapters in pymatgen.io.aseio between pymatgen's core Structure object and
- the Atoms object used by ASE. Get it at https://wiki.fysik.dtu.dk/ase/.
-5. OpenBabel with Python bindings (http://openbabel.org): Required for the
- usage of the adapters in pymatgen.io.babelio between pymatgen's Molecule
- and OpenBabel's OBMol. Opens up input and output support for the very large
- number of input and output formats supported by OpenBabel.
-6. nose - For complete unittesting.
-
-Optional non-Python programs
-----------------------------
-
-Optional non-python libraries (because no good python alternative exists at
-the moment) required only for certain features:
-
-1. ffmpeg: For generation of movies in structure_vtk.py. The executable ffmpeg
- must be in the path. Get it at http://www.ffmpeg.org.
-2. enum: For the use of
- :class:`pymatgen.transformations.advanced_transformations.EnumerateStructureTransformation`
- and :mod:`pymatgen.command_line.enumlib_caller` module. This library by Gus
- Hart provides a robust way to enumerate derivative structures. It can be
- used to completely enumerate all symmetrically distinct ordered structures
- of disordered structures via EnumerateStructureTransformation. Many other
- advanced transformations (e.g., MagOrderingTransformation) use
- EnumerateStructureTransformation. The multienum.x and makestr.x
- executables must be in the path. Get it at http://enum.sourceforge.net and
- follow the instructions to compile multienum.x and makestr.x.
-3. bader: For use with :class:`pymatgen.command_line.bader.BaderAnalysis`.
- This library by Henkelmann et al. provides a robust way to calculate the
- Bader analysis from a CHGCAR. The bader executable must be in the path.
- Get it at http://theory.cm.utexas.edu/bader.
-4. gulp: For use with :mod:`pymatgen.command_line.gulp_caller`,
- which is in turn used extensively by :mod:`pymatgen.analysis.defects` to
- compute empirical defect energies.
-5. aconvasp: For use with the :mod:`pymatgen.command_line.aconvasp_caller`.
-
Using pymatgen
==============

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