@@ -9,7 +9,9 @@ criterion (AIC) to generate and rank physically plausible sets of peaks even in
99the absence of a constraining structural model. This approach to peak
1010extraction is premised upon PDFs reporting accurate experimentally-determined
1111uncertainties, and when these are unavailable results are contingent on a
12- user-specified *ad hoc* uncertainty.
12+ user-specified *ad hoc* uncertainty. PDFs mixing positive and negative
13+ peaks, such as some neutron PDFs, are compatible with the SrMise peak fitting,
14+ but not peak extraction, capability.
1315
1416The software aids rapid analysis of crystalline and nanostructured
1517materials. Reasonable values for nearly all program parameters can be
@@ -34,20 +36,75 @@ feedback and suggestions.
3436
3537
3638Getting Started
37- ------------------------------------------------------------------------
39+ =================
3840
39- The diffpy.srfit package requires Python 2.6 or 2.7 and the following software:
41+ The diffpy.srmise package requires Python 2.6 or 2.7 and the following software:
4042
4143* ``setuptools`` - software distribution tools for Python
4244* ``NumPy`` - numerical mathematics and fast array operations for Python
4345* ``SciPy`` - scientific libraries for Python
4446* ``matplotlib`` - python plotting library
4547
46- On Ubuntu Linux, the required software can easily be installed using
47- the system package manager::
48+ See the :doc:`SrMise license <SrMiselicense>` for terms and conditions of use.
49+ Detailed installation instructions for the :ref:`Windows <windows_install>`,
50+ :ref:`Mac OS X <macosx_install>`, and :ref:`Linux <linux_install>`
51+ platforms follow.
52+
53+ .. _windows_install:
54+
55+ Windows
56+ -------
57+
58+ Several prebuilt Python distributions for Windows include all the
59+ prerequisite software required to run SrMise, and installing one of these is the
60+ simplest way to get started. These distributions are usually free for
61+ individual and/or academic use, but some also have commercial version. Links to
62+ executables, installation instructions, and licensing information
63+ for some popular options are listed below.
64+
65+ * `Anaconda <http://www.continuum.io/downloads>`_
66+ * `Enthought Canopy <https://www.enthought.com/products/canopy/>`_
67+ * `Python(x,y) <https://code.google.com/p/pythonxy/>`_
68+ * `WinPython <http://winpython.github.io>`_
69+
70+ Alternately, individual Windows executables for Python and the required
71+ components can be downloaded and installed. The official Windows releases of
72+ Numpy and SciPy do not currently support 64-bit Python installations, so be
73+ sure to download the 32-bit versions of these packages.
74+
75+ * `Python 2.6/2.7 <https://www.python.org/downloads/windows/>`_
76+ * `NumPy <http://sourceforge.net/projects/numpy/files/NumPy/>`_
77+ * `SciPy <http://sourceforge.net/projects/scipy/files/scipy/>`_
78+ * `matplotlib <http://matplotlib.org/downloads.html>`_
79+
80+ After installing Python and the required packages, we can install SrMise.
81+ The simplest way to obtain diffpy.srmise on Windows systems
82+ is using ``pip`` to download and install the latest release from the
83+ `Python Package Index <https://pypi.python.org>`_ (PyPI). To do so, open a
84+ command window by running ``cmd`` from the Start Menu's application search box
85+ (Windows 7/8/10) or Run command (Windows Vista and earlier). Verify that the
86+ ``pip`` program is installed by running ::
87+
88+ pip --version
89+
90+ If this command is not found, download and run
91+ `get-pip.py <https://bootstrap.pypa.io/get-pip.py>`_, which will install both it
92+ and setuptools. For example, if your Windows user name is ``MyName`` and you
93+ download the file to the desktop, you would run the following from the command
94+ line: ::
95+
96+ cd C:\Users\MyName\Desktop
97+ python get-pip.py
4898
49- sudo apt-get install \
50- python-setuptools python-numpy python-scipy python-matplotlib
99+ Finally, install the latest version of SrMise by running ::
100+
101+ pip install diffpy.srmise
102+
103+
104+ .. _macosx_install:
105+
106+ Mac OS X
107+ --------
51108
52109For Mac OS X systems with the MacPorts package manager, the required
53110software can be installed with ::
@@ -61,31 +118,51 @@ in MacPorts::
61118
62119 sudo port select --set python python27
63120
64- For Windows systems, the easiest way to obtain ``setuptools`` if not already
65- installed is downloading the ``pip`` setup script `get-pip.py
66- <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 >`_. ::
67124
68- python get-pip.py
69-
70- It is recommended to install all other dependencies using prebuilt binaries.
71- Visit http://www.scipy.org and http://www.matplotlib.org for instructions.
72- Alternately, install a full Python distribution such as Python(x,y) or
73- Enthought Canopy which already includes the required components.
125+ sudo pip install diffpy.srmise
74126
75- Installation
76- ------------------------------------------------------------------------
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 ::
77131
78- The simplest way to obtain diffpy.srmise on Unix, Linux, and Mac systems
79- (see the :doc:`license <SrMiselicense>` for terms and conditions of use) is
80- using ``pip`` to download and install the latest release from the
81- `Python Package Index <https://pypi.python.org>`_ (PyPI). ::
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+ .. _linux_install:
140+
141+ Linux
142+ -----
143+
144+ On Ubuntu and Debian Linux, the required software can easily be installed using
145+ the system package manager::
146+
147+ sudo apt-get install \
148+ python-setuptools python-numpy python-scipy python-matplotlib
149+
150+ Similarly, on Fedora::
151+
152+ sudo yum install python-setuptools numpy scipy python-matplotlib
153+
154+ For other Linux distributions consult the appropriate package manager.
155+
156+ The simplest way to obtain diffpy.srmise on Linux systems
157+ is using ``pip`` to download and install the latest release from the
158+ `PyPI <https://pypi.python.org>`_. ::
82159
83160 sudo pip install diffpy.srmise
84161
85162If you prefer to install from sources, download them from the
86- `GitHub <https://github.com/diffpy/diffpy.srmise/releases>`_ or
87- `PyPI <https://pypi.python.org/pypi/diffpy.srmise>`_ pages for SrMise. Then
88- run ::
163+ `GitHub <https://github.com/diffpy/diffpy.srmise/releases>`__ or
164+ `PyPI <https://pypi.python.org/pypi/diffpy.srmise>`__ pages for SrMise.
165+ Uncompress them to a directory, and from that directory run ::
89166
90167 sudo python setup.py install
91168
@@ -94,11 +171,9 @@ administrator (root) access is not available, see the usage info from
94171``python setup.py install --help`` for options to install to user-writable
95172directories.
96173
97- To install on Windows run either of the commands above omitting ``sudo``.
98-
99174
100175What next?
101- ----------
176+ ============
102177
103178Explore the SrMise tutorial
104179`examples <http://diffpy.github.io/diffpy.srmise/examples.html>`_!
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