X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=share%2Ftemplate%2FREADME;h=bc1e4b6c323b5ab5d399ebf85b0ccc567837d389;hb=61e3221db79c7f1a37a4cbd6c37c762f3277048a;hp=dc25c57bfa4a3e06a5f6bb8aea734625a53fb58d;hpb=ca364374d27b09e182ef2a7bd099a6ec038ad21e;p=alexxy%2Fgromacs.git diff --git a/share/template/README b/share/template/README index dc25c57bfa..bc1e4b6c32 100644 --- a/share/template/README +++ b/share/template/README @@ -1,6 +1,10 @@ Once installed, this directory contains CMakelist.txt, Makefile.pkg and a small program that you could use as a template when writing your own analysis software. +Further explanation for the template code can be found +in the Doxygen documentation (link to the latest development +version): + The CMakelist.txt can be used together with cmake to build the template program: @@ -10,30 +14,19 @@ Alternatively, setting CMAKE_PREFIX_PATH will direct cmake to find a particular GROMACS installation. The Makefile.pkg can be used if cmake is unavailable. It -makes use of pkg-config only to build the template program: +makes use of pkg-config to build the template program: $ source /path/to/GMXRC $ make -f Makefile.pkg You will need to make sure that you use a sufficiently similar C++ compiler and C++ Standard Library as the one that was used for -compiling GROMACS, preferably the same one. If you used any system -libraries (e.g. Boost, FFTW, BLAS, LAPACK) when installing GROMACS, -then you will need make them available to the template build system -also. The easiest way to do this is to have pkg-config installed on -your system, and to source GMXRC from the GROMACS installation before -you attempt to configure the template. A subset of Boost is supposed -to be installed with GROMACS, but currently the automatic machinery -does not detect that installation, so you may need to install Boost -(headers only) in order to use the GROMACS template program. - -If the compiler used for GROMACS was capable of some C++11 features -then, by default, those will be required for compiling the -template. To make that work, you can either configure GROMACS with -$ cmake -DGMX_CXX11=off -or configure the template with the appropriate -$ cmake -DCMAKE_CXX_FLAGS="-flag-for-your-compiler" -You can find out the necessary flags from your compiler's documentation, -or by inspecting the src/buildinfo.h file in the GROMACS build tree. +compiling GROMACS, preferably the same one. Boost headers used to +compile GROMACS are also required, and are automatically added to +the include path by both of the above build systems. +See the Doxygen documentation for using GROMACS as a library for +more details about the build system used to build the template, as +well as its limitations (link to the latest development version): + ----------------------------------------------------------