+% Process from LaTeX via XML to XHTML with
+% latexml --destination installguide.xml --xml installguide.tex
+% latexmlpost --destination installguide.xhtml --format=xhtml installguide.xml
+%
+% Crude hack to remove ugly symbols:
+% sed -e 's/§//g' -i installguide.xhtml
+%
+% Strip off header for pasting into the website at
+% http://www.gromacs.org/Documentation/Installation_Instructions:
+%
+% grep -A 99999 "class=\"main\"" installguide.xhtml > installguide_web.xhtml
+
\documentclass{article}[12pt,a4paper,twoside]
\usepackage{hyperref}
% haven't made these work with LaTeXML yet...
\subsection{Building on Windows}
-Need a volunteer to write this section.
-
-Cygwin works just like Unix.
+Building on Cygwin/MinGW/etc. works just like Unix. Please see the
+instructions above.
+
+Building on Windows using native compilers is rather similar to
+building on Unix, so please start by reading the above. Then, download
+and unpack the GROMACS source archive. The UNIX-standard
+\texttt{.tar.gz} format can be managed on Windows, but you may prefer
+to browse \url{ftp://ftp.gromacs.org/pub/gromacs} to obtain a
+\texttt{.zip} format file, which doesn't need any external tools to
+unzip on recent Windows systems. Make a folder in which to do the
+out-of-source build of \gromacs{}. For example, make it within the
+folder unpacked from the source archive, and call it ``build-cmake''.
+
+Next, you need to open a command shell. If you do this from within
+your IDE (e.g. Microsoft Visual Studio), it will configure the
+environment for you. If you use a normal Windows command shell, then
+you will need to either set up the environment to find your compilers
+and libraries yourself, or run the \texttt{vcvarsall.bat} batch script
+provided by MSVC (just like sourcing a bash script under
+Unix). Presumably Intel's IDE has a similar functionality.
+
+Within that command shell, change to the folder you created above. Run
+\verb+cmake ..+, where the folder you point \cmake{} towards is the
+folder created by the \gromacs{} installer. Resolve issues as
+above. You will probably make your life easier and faster by using the
+new facility to download and install \fftw{} automatically. After the
+initial run of \verb+cmake+, you may wish to use \verb+cmake+,
+\verb+ccmake+ or the GUI version of \cmake{} until your configuration
+is complete.
+
+To compile \gromacs{}, you then use \verb+cmake --build .+ so the
+right tools get used.
\subsection{Building on Cray}
\subsubsection{BlueGene/P}
Mark to write later. There is currently no native acceleration on this
-platform, but the default kernels will work.
+platform, but the default plain C kernels will work.
\subsubsection{BlueGene/Q}
Mark to write later. There is currently no native acceleration on this
-platform, but the default kernels will work.
+platform, but the default plain C kernels will work.
\section{Tested platforms}
<h2 class="title section-title"> 1. Building GROMACS</h2>
<div class="para" id="S1.p1">
<p class="p">These instructions pertain to building GROMACS 4.6 beta releases
-and newer. For installations instructions for old GROMACSversions,
+and newer. For installations instructions for old GROMACS versions,
see here
<a href="http://www.gromacs.org/Documentation/Installation_Instructions_4.5" title="" class="ref url"><span style="" class="text typewriter">http://www.gromacs.org/Documentation/Installation_Instructions_4.5</span></a>.</p>
</div>
<a href="http://www.cmake.org/cmake/help/install.html" title="" class="ref url"><span style="" class="text typewriter">http://www.cmake.org/cmake/help/install.html</span></a> for pre-compiled
binaries, source code and installation instructions. The GROMACS
team recommends you install the most recent version of CMake you
-can.</p>
+can.
+</p>
</div>
</div>
<div class="para" id="S3.SS9.p3">
<p class="p">If you have a multi-core or multi-CPU machine with <span style="" class="text typewriter">N</span>
-processors, then using</p>
+processors, then using
+</p>
<pre class="verbatim">
$ make -j N
</pre>
directory given in <span style="" class="text typewriter">GMX_INSTALL_PREFIX</span>. If this is an system
directory, then you will need permission to write there, and you
should use super-user privileges only for <span style="" class="text typewriter">make install</span> and
-not the whole procedure.
-</p>
+not the whole procedure.</p>
</div>
</div>
<div class="subsection" id="S4.SS1">
<h3 class="title subsection-title"> 4.1. Building on Windows</h3>
<div class="para" id="S4.SS1.p1">
- <p class="p">Need a volunteer to write this section.</p>
+ <p class="p">Building on Cygwin/MinGW/etc. works just like Unix. Please see the
+instructions above.</p>
</div>
<div class="para" id="S4.SS1.p2">
- <p class="p">Cygwin works just like Unix.</p>
+ <p class="p">Building on Windows using native compilers is rather similar to
+building on Unix, so please start by reading the above. Then, download
+and unpack the GROMACS source archive. The UNIX-standard
+<span style="" class="text typewriter">.tar.gz</span> format can be managed on Windows, but you may prefer
+to browse <a href="ftp://ftp.gromacs.org/pub/gromacs" title="" class="ref url"><span style="" class="text typewriter">ftp://ftp.gromacs.org/pub/gromacs</span></a> to obtain a
+<span style="" class="text typewriter">.zip</span> format file, which doesn't need any external tools to
+unzip on recent Windows systems. Make a folder in which to do the
+out-of-source build of GROMACS. For example, make it within the
+folder unpacked from the source archive, and call it “build-cmake”.
+</p>
+ </div>
+
+ <div class="para" id="S4.SS1.p3">
+ <p class="p">Next, you need to open a command shell. If you do this from within
+your IDE (e.g. Microsoft Visual Studio), it will configure the
+environment for you. If you use a normal Windows command shell, then
+you will need to either set up the environment to find your compilers
+and libraries yourself, or run the <span style="" class="text typewriter">vcvarsall.bat</span> batch script
+provided by MSVC (just like sourcing a bash script under
+Unix). Presumably Intel's IDE has a similar functionality.</p>
+ </div>
+
+ <div class="para" id="S4.SS1.p4">
+ <p class="p">Within that command shell, change to the folder you created above. Run
+<code class="verbatim">cmake ..</code>, where the folder you point CMake towards is the
+folder created by the GROMACS installer. Resolve issues as
+above. You will probably make your life easier and faster by using the
+new facility to download and install FFTW automatically. After the
+initial run of <code class="verbatim">cmake</code>, you may wish to use <code class="verbatim">cmake</code>,
+<code class="verbatim">ccmake</code> or the GUI version of CMake until your configuration
+is complete.</p>
+ </div>
+
+ <div class="para" id="S4.SS1.p5">
+ <p class="p">To compile GROMACS, you then use <code class="verbatim">cmake --build .</code> so the
+right tools get used.</p>
</div>
</div>
<h4 class="title subsubsection-title"> 4.3.1. BlueGene/P</h4>
<div class="para" id="S4.SS3.SSS1.p1">
<p class="p">Mark to write later. There is currently no native acceleration on this
-platform, but the default kernels will work.</p>
+platform, but the default plain C kernels will work.</p>
</div>
</div>
<h4 class="title subsubsection-title"> 4.3.2. BlueGene/Q</h4>
<div class="para" id="S4.SS3.SSS2.p1">
<p class="p">Mark to write later. There is currently no native acceleration on this
-platform, but the default kernels will work.</p>
+platform, but the default plain C kernels will work.</p>
</div>
</div>
<div class="para" id="S5.p3">
<p class="p">Later we might set up the ability for users to contribute test results
-to Jenkins.</p>
+to Jenkins.
+</p>
</div>
</div>
biod.pnpi.spb.ru / alexxy / gromacs.git / commitdiff