1+ #########################
12diffpy.srmise
2- ========================================================================
3+ #########################
34
45Tool for unbiased peak extraction from atomic pair distribution functions.
56
@@ -39,21 +40,71 @@ must be specified.
3940For more information about the diffpy.srmise library, see the users manual at
4041http://diffpy.github.io/diffpy.srmise.
4142
42- REQUIREMENTS
43- ------------------------------------------------------------------------
43+ Getting Started
44+ =================
4445
45- The diffpy.srfit package requires Python 2.6 or 2.7 and the following software:
46+ The diffpy.srmise package requires Python 2.6 or 2.7 and the following software:
4647
4748* ``setuptools `` - software distribution tools for Python
4849* ``NumPy `` - numerical mathematics and fast array operations for Python
4950* ``SciPy `` - scientific libraries for Python
5051* ``matplotlib `` - python plotting library
5152
52- On Ubuntu Linux, the required software can easily be installed using
53- the system package manager::
53+ See the `SrMise license <LICENSE.txt >`__ for terms and conditions of use.
54+ Detailed installation instructions for the `Windows `_, `Mac OS X `_, and
55+ `Linux `_ platforms follow.
56+
57+ Windows
58+ -------
59+
60+ Several prebuilt Python distributions for Windows include all the
61+ prerequisite software required to run SrMise, and installing one of these is the
62+ simplest way to get started. These distributions are usually free for
63+ individual and/or academic use, but some also have commercial version. Links to
64+ executables, installation instructions, and licensing information
65+ for some popular options are listed below.
66+
67+ * `Anaconda <http://www.continuum.io/downloads >`_
68+ * `Enthought Canopy <https://www.enthought.com/products/canopy/ >`_
69+ * `Python(x,y) <https://code.google.com/p/pythonxy/ >`_
70+ * `WinPython <http://winpython.github.io >`_
71+
72+ Alternately, individual Windows executables for Python and the required
73+ components can be downloaded and installed. The official Windows releases of
74+ Numpy and SciPy do not currently support 64-bit Python installations, so be
75+ sure to download the 32-bit versions of these packages.
76+
77+ * `Python 2.6/2.7 <https://www.python.org/downloads/windows/ >`_
78+ * `NumPy <http://sourceforge.net/projects/numpy/files/NumPy/ >`_
79+ * `SciPy <http://sourceforge.net/projects/scipy/files/scipy/ >`_
80+ * `matplotlib <http://matplotlib.org/downloads.html >`_
81+
82+ After installing Python and the required packages, we can install SrMise.
83+ The simplest way to obtain diffpy.srmise on Windows systems
84+ is using ``pip `` to download and install the latest release from the
85+ `Python Package Index <https://pypi.python.org >`_ (PyPI). To do so, open a
86+ command window by running ``cmd `` from the Start Menu's application search box
87+ (Windows 7/8/10) or Run command (Windows Vista and earlier). Verify that the
88+ ``pip `` program is installed by running ::
89+
90+ pip --version
91+
92+ If this command is not found, download and run
93+ `get-pip.py <https://bootstrap.pypa.io/get-pip.py >`_, which will install both it
94+ and setuptools. For example, if your Windows user name is ``MyName `` and you
95+ download the file to the desktop, you would run the following from the command
96+ line: ::
97+
98+ cd C:\Users\MyName\Desktop
99+ python get-pip.py
54100
55- sudo apt-get install \
56- python-setuptools python-numpy python-scipy python-matplotlib
101+ Finally, install the latest version of SrMise by running ::
102+
103+ pip install diffpy.srmise
104+
105+
106+ Mac OS X
107+ --------
57108
58109For Mac OS X systems with the MacPorts package manager, the required
59110software can be installed with ::
@@ -67,41 +118,61 @@ in MacPorts::
67118
68119 sudo port select --set python python27
69120
70- For Windows systems, the easiest way to obtain `` setuptools `` if not already
71- installed is downloading the ``pip `` setup script ` get-pip.py
72- <https://bootstrap.pypa.io/get-pip.py > `_ and running ::
121+ The simplest way to obtain diffpy.srmise on Mac OS X systems
122+ is using ``pip `` to download and install the latest release from
123+ ` PyPI <https://pypi.python.org >`_. ::
73124
74- python get-pip.py
75-
76- It is recommended to install all other dependencies using prebuilt binaries.
77- Visit http://www.scipy.org and http://www.matplotlib.org for instructions.
78- Alternately, install a full Python distribution such as Python(x,y) or
79- Enthought Canopy which already includes the required components.
125+ sudo pip install diffpy.srmise
126+
127+ If you prefer to install from sources, download them from the
128+ `GitHub <https://github.com/diffpy/diffpy.srmise/releases >`__ or
129+ `PyPI <https://pypi.python.org/pypi/diffpy.srmise >`__ pages for SrMise.
130+ Uncompress them to a directory, and from that directory run ::
131+
132+ sudo python setup.py install
133+
134+ This installs diffpy.srmise for all users in the default system location. If
135+ administrator (root) access is not available, see the usage info from
136+ ``python setup.py install --help `` for options to install to user-writable
137+ directories.
138+
139+
140+ Linux
141+ -----
142+
143+ On Ubuntu and Debian Linux, the required software can easily be installed using
144+ the system package manager::
80145
81- INSTALLATION
82- ------------------------------------------------------------------------
146+ sudo apt-get install \
147+ python-setuptools python-numpy python-scipy python-matplotlib
148+
149+ Similarly, on Fedora::
150+
151+ sudo yum install python-setuptools numpy scipy python-matplotlib
83152
84- The simplest way to obtain diffpy.srmise on Unix, Linux, and Mac systems is
85- using ``easy_install `` or ``pip `` to download and install the latest release
86- from the `Python Package Index <https://pypi.python.org >`_. ::
153+ For other Linux distributions consult the appropriate package manager.
154+
155+ The simplest way to obtain diffpy.srmise on Linux systems
156+ is using ``pip `` to download and install the latest release from the
157+ `PyPI <https://pypi.python.org >`_. ::
87158
88159 sudo pip install diffpy.srmise
89160
90- If you prefer to install from sources, make sure all required software packages
91- are in place and then run ::
161+ If you prefer to install from sources, download them from the
162+ `GitHub <https://github.com/diffpy/diffpy.srmise/releases >`__ or
163+ `PyPI <https://pypi.python.org/pypi/diffpy.srmise >`__ pages for SrMise.
164+ Uncompress them to a directory, and from that directory run ::
92165
93166 sudo python setup.py install
94167
95168This installs diffpy.srmise for all users in the default system location. If
96169administrator (root) access is not available, see the usage info from
97170``python setup.py install --help `` for options to install to user-writable
98- directories.
99-
100- To install on Windows run either of the commands above omitting ``sudo ``.
171+ directories.
101172
102173
103174DEVELOPMENT
104- ------------------------------------------------------------------------
175+ ===========
105176
106177diffpy.srmise is open-source software developed with support of the Center of
107178Research Excellence in Complex Materials at Michigan State University, in
@@ -117,13 +188,13 @@ copied to a package directory, use ::
117188
118189
119190ACKNOWLEDGEMENT
120- ------------------------------------------------------------------------
191+ ===============
121192
122193The source code of *pdfdataset.py * was derived from diffpy.pdfgui.
123194
124195
125196CONTACTS
126- ------------------------------------------------------------------------
197+ ========
127198
128199For more information on diffpy.srmise please visit the project web-page
129200
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