@@ -101,11 +101,6 @@ <h2>Overview<a class="headerlink" href="#overview" title="Link to this heading">
101101capable of full-profile fitting of the atomic pair distribution function (PDF)
102102derived from x-ray or neutron diffraction data
103103and comes with built in graphical and structure visualization capabilities.</ p >
104- < p > PDFgui is also included in < a class ="reference internal " href ="xPDFsuite.html "> < span class ="doc "> xPDFsuite</ span > </ a > ,
105- a powerful end-to-end software for X-ray PDF analysis.
106- xPDFsuite is designed for flexible,
107- high throughput PDF analyses and contains many features for interrogating, comparing and
108- modeling data as well as simply doing data reduction.</ p >
109104< figure class ="align-center " id ="id1 ">
110105< img alt ="../_images/PDFgui_screenshot_small.png " src ="../_images/PDFgui_screenshot_small.png " />
111106< figcaption >
@@ -116,56 +111,49 @@ <h2>Overview<a class="headerlink" href="#overview" title="Link to this heading">
116111< section id ="installation ">
117112< h2 > Installation< a class ="headerlink " href ="#installation " title ="Link to this heading "> ¶</ a > </ h2 >
118113< p > By downloading and using this software you are agreeing to the
119- conditions specified in the < a class ="reference internal " href ="pdfguilicense.html " > < span class =" doc " > software license</ span > </ a > .</ p >
114+ conditions specified in the < a class ="reference external " href ="https://github.com/diffpy/diffpy.pdfgui/blob/main/LICENSE.rst " > software license</ a > .</ p >
120115< p > PDFgui is distributed as a software package for
121116< a class ="reference external " href ="https://www.anaconda.com "> Anaconda Python</ a > . PDFgui is available
122117for all operating systems supported by Anaconda, namely for
123118Linux, Mac OS X, and Windows.</ p >
124119< p > As a prerequisite for PDFgui installation, download and install
125120< strong > Miniconda</ strong > (< a class ="reference external " href ="https://docs.conda.io/en/latest/miniconda.html#latest-miniconda-installer-links "> https://docs.conda.io/en/latest/miniconda.html#latest-miniconda-installer-links</ a > )
126121or Anaconda Python (< a class ="reference external " href ="https://www.anaconda.com/download "> https://www.anaconda.com/download</ a > ).</ p >
127- < p > PDFgui is available from the “conda-forge” channel of Anaconda packages.
128- To do so open a < em > Terminal</ em > window or < em > Anaconda Command Prompt</ em > and use
122+ < p > PDFgui is available from the “conda-forge” channel of Anaconda packages.</ p >
123+ < p > To install it, first open a < em > Terminal</ em > window or < em > Anaconda Command Prompt</ em > and use
129124the < strong class ="program "> conda</ strong > command as follows</ p >
130- < div class ="highlight-bash notranslate "> < div class ="highlight "> < pre > < span > </ span > conda< span class ="w "> </ span > create< span class ="w "> </ span > --name< span class ="o "> =</ span > pdfgui2< span class ="w "> </ span > < span class ="nv "> python</ span > < span class ="o "> =</ span > < span class ="m "> 3</ span > .9
131- conda< span class ="w "> </ span > activate< span class ="w "> </ span > pdfgui2
132- conda< span class ="w "> </ span > install< span class ="w "> </ span > -c< span class ="w "> </ span > conda-forge< span class ="w "> </ span > diffpy.pdfgui
125+ < div class ="highlight-bash notranslate "> < div class ="highlight "> < pre > < span > </ span > conda< span class ="w "> </ span > create< span class ="w "> </ span > --name< span class ="o "> =</ span > pdfgui_env< span class ="w "> </ span > --channel< span class ="w "> </ span > conda-forge< span class ="w "> </ span > diffpy.pdfgui
133126</ pre > </ div >
134127</ div >
135- < p > PDFgui can be then started from a < em > Terminal</ em > window or < em > Anaconda Command Prompt</ em > by typing</ p >
136- < div class ="highlight-bash notranslate "> < div class ="highlight "> < pre > < span > </ span > pdfgui
128+ < p > To use PDFgui you then have to activate this conda environment and type pdfgui.</ p >
129+ < div class ="highlight-bash notranslate "> < div class ="highlight "> < pre > < span > </ span > conda< span class ="w "> </ span > activate< span class ="w "> </ span > pdfgui_env
130+ pdfgui
137131</ pre > </ div >
138132</ div >
139- < p > The PDFgui window will appear automatically. An alternative method on Windows is to start
133+ < p > After a brief pause he PDFgui window will appear automatically. An alternative method on Windows is to start
140134PDFgui through the < em > Diffpy</ em > start menu.</ p >
141135< div class ="admonition note ">
142136< p class ="admonition-title "> Note</ p >
143- < p > To start PDFgui from a Terminal make sure < em > pdfgui2 </ em > is
137+ < p > To start PDFgui from a Terminal make sure < em > pdfgui_env </ em > is
144138the active Anaconda environment:</ p >
145- < div class ="highlight-bash notranslate "> < div class ="highlight "> < pre > < span > </ span > conda< span class ="w "> </ span > activate< span class ="w "> </ span > pdfgui2
139+ < div class ="highlight-bash notranslate "> < div class ="highlight "> < pre > < span > </ span > conda< span class ="w "> </ span > activate< span class ="w "> </ span > pdfgui_env
146140</ pre > </ div >
147141</ div >
148- < p > Alternatively you can add the following line to your shell startup
142+ < p > Alternatively, on bash terminals you can add the following line to your shell startup
149143file < code class ="file docutils literal notranslate "> < span class ="pre "> .bashrc</ span > </ code > to define an alias which will work in
150144any Anaconda environment</ p >
151- < div class ="highlight-bash notranslate "> < div class ="highlight "> < pre > < span > </ span > < span class ="nb "> alias</ span > < span class ="w "> </ span > < span class ="nv "> pdfgui</ span > < span class ="o "> =</ span > < span class ="s2 "> "/path/to/pdfgui2 /bin/pdfgui"</ span >
145+ < div class ="highlight-bash notranslate "> < div class ="highlight "> < pre > < span > </ span > < span class ="nb "> alias</ span > < span class ="w "> </ span > < span class ="nv "> pdfgui</ span > < span class ="o "> =</ span > < span class ="s2 "> "/path/to/pdfgui_env /bin/pdfgui"</ span >
152146</ pre > </ div >
153147</ div >
154148< p > where < code class ="docutils literal notranslate "> < span class ="pre "> /path/to</ span > </ code > needs to be adjusted according to the output of
155149< code class ="docutils literal notranslate "> < span class ="pre "> which</ span > < span class ="pre "> pdfgui</ span > </ code > command.</ p >
156150</ div >
157- </ section >
158- < section id ="pdfgui-updates ">
159- < h2 > PDFgui updates< a class ="headerlink " href ="#pdfgui-updates " title ="Link to this heading "> ¶</ a > </ h2 >
160- < p > The Anaconda package system makes it easy to prepare and distribute
161- software updates and bugfixes. To update to the latest version of
162- PDFgui use</ p >
163- < div class ="highlight-bash notranslate "> < div class ="highlight "> < pre > < span > </ span > conda< span class ="w "> </ span > update< span class ="w "> </ span > -c< span class ="w "> </ span > conda-forge< span class ="w "> </ span > diffpy.pdfgui
164- </ pre > </ div >
165- </ div >
166- < p > To use a bleeding edge development version, visit the project source
167- repository at < a class ="reference external " href ="https://github.com/diffpy/diffpy.pdfgui "> https://github.com/diffpy/diffpy.pdfgui</ a > and consult
168- its README file.</ p >
151+ < p > Please consider joining the < a class ="reference external " href ="https://www.diffpy.org/community.html "> diffpy-users</ a > Google group.
152+ News about updates and new releases will be made there, as well as it being a place to ask questions
153+ and find answers about using all diffpy programs.
154+ When you sign up,
155+ please leave a short message about why you are requesting to join as we have had spam accounts requesting access
156+ and so we want to know you are a legitimate user.</ p >
169157</ section >
170158< section id ="other-versions ">
171159< h2 > Other versions< a class ="headerlink " href ="#other-versions " title ="Link to this heading "> ¶</ a > </ h2 >
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