From: Dawid Jagieła <lightnir@chem.univ.gda.pl>
Date: Wed, 5 Nov 2014 08:56:10 +0000 (+0100)
Subject: Added CMake build instructions
X-Git-Tag: v.3.2.1~19^2
X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=ddbc850e3ec3b5659f2ee32890e487026189d4bb

Added CMake build instructions
---

diff --git a/INSTALL b/INSTALL
new file mode 100644
index 0000000..f64e89f
--- /dev/null
+++ b/INSTALL
@@ -0,0 +1,79 @@
+=== Requirements ===
+
+ -- CMake 2.8.0 or later
+ -- C compiler 
+ -- Fortran compiler
+
+
+=== Basic Installation ===
+
+These instructions give a very basic overview of how to configure, compile and
+install UNRESPACK on most systems.  If you are using unique install locations
+and/or libraries that are not automatically detected please consult the 'Advanced'
+section.
+
+1. Create a 'build' directory in the package source directory.
+
+   mkdir build
+   cd build
+
+2. Configure the build system
+
+   cmake ..
+
+3. Compile
+
+   make 
+
+4. Install
+
+   sudo make install
+
+
+=== Advanced ===
+
+The build system (CMake) provides mechanisms for specifying non-standard
+build parameters.
+
+
+Compilers & installation
+------------------------
+   
+   -DCMAKE_Fortran_COMPILER=xxx equal to name of Fortran Compiler you wish to use 
+     (ifort, gfortran)
+
+   -DCMAKE_INSTALL_PREFIX=xxx specify the binaries installation prefix
+                            (default UNRESPACK_source_dir/bin)
+
+Force-fields
+------------
+
+   -DUNRES_MD_FF=xxx  compiles the MD versions with given force field. 
+     Options are: GAB, E0LL2Y. Default: GAB
+
+   -DUNRES_CSA_FF=xxx compiles the CSA versions with given force field
+     Options are: CASP3, ALPHA, BETA, ALPHABETA, CASP5, 3P, 4P. Default: 4P.
+
+Please read the online documentation on force fields available at 
+ http://unres.eu/unres#SECTION00090000000000000000
+  
+
+MPI 
+---
+
+MPI implementation on your system should be automatically detected ("MPI Found" 
+message after runing cmake). If not you have two options:
+
+1. Try setting the path to you MPI wrapper implementation
+
+   -DMPI_Fortran_COMPILER=xxx MPI wrapper
+
+2. If option 1 fails or your MPI implementation does not come with a compiler wrapper 
+   try setting both the MPI include and library paths manually. This will circumvent
+   autodetection entirely. 
+
+   -DMPI_Fortran_INCLUDE_PATH=xxx
+   -DMPI_Fortran_LIBRARY="xxx"
+
+
+