readme updated

README.md

 libcif++
 libcif++
 ========
 ========
 
 
-This is the README file for libcif++.
+This library contains code to work with mmCIF and PDB files.
+
 
 
 Requirements
 Requirements
 ------------
 ------------
@@ -12,34 +13,18 @@ have been used.
 
 
 Other requirements are:
 Other requirements are:
 
 
-- A recent CCP4 environment (with the clipper libraries that have
-  electrion scattering support).
 - GNU make version 4.1 or higher.
 - GNU make version 4.1 or higher.
-- Boost libraries, the current version was developed using version 1.65
+- Boost libraries, at least version 1.71
 - [mrc](https://github.com/mhekkel/mrc), a resource compiler that
 - [mrc](https://github.com/mhekkel/mrc), a resource compiler that
   allows including data files into the executable making them easier to
   allows including data files into the executable making them easier to
   install. Strictly this is optional, but at the expense of a lot of
   install. Strictly this is optional, but at the expense of a lot of
   functionality.
   functionality.
-- [newuoa-cpp](https://github.com/elsid/newuoa-cpp), required to
-  calculate atom radii.
 
 
 Building
 Building
 --------
 --------
 
 
-Make sure you install the libraries and tools in list above first
-before building. You don't have to install them in system locations,
-paths can be set as described in the next section.
-
-There are two makefiles, one located in the directory libcif++ and one
-in tools.
-
-Both makefiles will include a *make.config* file (which will be
-generated if it doesn't exist). This configuration file can be used to
-override local settings, e.g. the location of certain libraries.
+Simply configure, make and make install.
 
 
-Before running make, first `source` the ccp4 environment. This will
-take care of setting up the make.config file correctly. You then only
-have to edit the `ZEEP_DIR` variable to point to the correct
-directory in case you did not install libzeep, and if you use
-libzeep version 4, you will have to change `ZEEP_INCL` and `ZEEP_LIB`
-to be `$(ZEEP_DIR)/include` and `$(ZEEP_DIR)/lib` respectively.
+There's one configure flag that might be of interest: if you specify
+DEBUG=1 the make will create a debug version by default. Otherwise,
+you can run make with DEBUG=1 to create a debug version.

configure.ac

@@ -88,51 +88,6 @@ LDFLAGS="$OLD_LDFLAGS"
 LIBS="$OLD_LIBS"
 LIBS="$OLD_LIBS"
 
 
 AX_BOOST_IOSTREAMS
 AX_BOOST_IOSTREAMS
-dnl AX_BOOST_FILESYSTEM
-AX_BOOST_THREAD
-
-# AC_ARG_WITH([clipper],
-# 	AS_HELP_STRING([--with-clipper=@<:@location@:>@],
-# 		[Use the clipper library as specified.
-# 		@<:@location=$CCP4@:>@]),
-# 		[
-# 			CPPFLAGS="$CPPFLAGS -I ${withval}/include"
-# 			CXXFLAGS="$CXXFLAGS -I ${withval}/include"
-# 			LDFLAGS="$LDFLAGS -L${withval}/lib"
-# 		])
-
-# AC_ARG_WITH([newuoa],
-# 	AS_HELP_STRING([--with-newuoa=@<:@location@:>@],
-# 		[Use the newuoa library as specified.]),
-# 		[
-# 			CPPFLAGS="$CPPFLAGS -I ${withval}/include"
-# 			CXXFLAGS="$CXXFLAGS -I ${withval}/include"
-# 			LDFLAGS="$LDFLAGS -L${withval}/lib"
-# 		])
-
-# AC_CHECK_HEADER(
-# 	[clipper/clipper.h],
-# 	[],
-# 	[AC_MSG_ERROR([
-# Can't find the main clipper include file clipper/clipper.h. Please
-# specify either the CCP4 location of the location of the installed
-# clipper using --with-clipper=<path>
-# ])])
-
-# AC_MSG_CHECKING([clipper version])
-# AC_COMPILE_IFELSE(
-# 	[read_test(clipper-test.cpp)],
-# 	[],
-# 	[AC_MSG_ERROR([The version of clipper is not up to date])])
-
-# AC_CHECK_HEADER(
-# 	[newuoa.h],
-# 	[],
-# 	[AC_MSG_ERROR([
-# Can't find the newuoa include file newuoa.h. Please install this
-# library and specify its location with --with-newuoa=<path>.
-# You can find newuoa at https://github.com/elsid/newuoa-cpp.git
-# ])])
 
 
 AX_CHECK_LIBRARY([LIBZ], [zlib.h], [z], [],
 AX_CHECK_LIBRARY([LIBZ], [zlib.h], [z], [],
                  [AC_MSG_ERROR([libz not found - compressed files not supported])])
                  [AC_MSG_ERROR([libz not found - compressed files not supported])])