Re: [AMBER] How to modify config.h if I cannot get g77 running? Pls kindly help.

From: Jason Swails <jason.swails.gmail.com>
Date: Tue, 8 Jun 2010 07:23:56 -0400

Hello,

It is fine, it's using gfortran instead of g77, which will work just as
well.

Good luck!
Jason

2010/6/8 Catein Catherine <askamber23.hotmail.com>

>
> Dear Sir/madam,
>
> I have type the followings lines in ubuntu 9.1.
>
> > sudo apt-get install bison csh flex gfortran g++ xorg-dev
>
> > sudo apt-get install build-essential byacc
>
> > g++ -v, it is what I got.
>
>
> ======================================================================================================
> Using built-in specs.
> Target: i486-linux-gnu
> Configured with: ../src/configure -v --with-pkgversion='Ubuntu
> 4.4.1-4ubuntu9' --with-bugurl=file:///usr/share/doc/gcc-4.4/README.Bugs
> --enable-languages=c,c++,fortran,objc,obj-c++ --prefix=/usr --enable-shared
> --enable-multiarch --enable-linker-build-id --with-system-zlib
> --libexecdir=/usr/lib --without-included-gettext --enable-threads=posix
> --with-gxx-include-dir=/usr/include/c++/4.4 --program-suffix=-4.4
> --enable-nls --enable-clocale=gnu --enable-libstdcxx-debug --enable-objc-gc
> --enable-targets=all --disable-werror --with-arch-32=i486
> --with-tune=generic --enable-checking=release --build=i486-linux-gnu
> --host=i486-linux-gnu --target=i486-linux-gnu
> Thread model: posix
> gcc version 4.4.1 (Ubuntu 4.4.1-4ubuntu9)
>
> =======================================================================================================
>
> Then I type ./configure_at gcc to create the config.h file, here is the
> error message that I saw for g77 compiler and the config.h file created. I
> found g77 is not working (see error message below), but I think we can use
> gfortran instead to install ambertools 1.2 and amber10. Do I need to
> modifiy the config.h file below? Could you mind to teach me how? I also
> found I don't have the X11R6 folder in the location indicated in config.h.
> Where should I find the X11R6? Should I modify the path instead to get it
> run?
>
>
> ========================================================================================================
> ./configure_at gcc
> Setting AMBERHOME to /home/annie/Amber10/amber10
>
>
> Testing the C compiler:
> gcc -m32 -o testp testp.c
> OK
>
> Obtaining the C++ compiler version:
> g++ -v
> The version is ../src/configure
> 4.4.1
> [: 520: -lt: unexpected operator
> OK
>
> Testing the g77 compiler:
> g77 -O2 -fno-automatic -finit-local-zero -o testp testp.f
> ./configure_at: 538: g77: not found
> ./configure_at: 539: ./testp: not found
> Unable to compile a Fortran program using g77 -O2 -fno-automatic
> -finit-local-zero
>
> Testing the gfortran compiler:
> gfortran -O1 -fno-automatic -o testp testp.f
> OK
>
> Testing flex:
> OK
>
> Configuring netcdf; (may be time-consuming)
>
> NETCDF configure succeeded.
>
> The configuration file, config.h, was successfully created.
>
> The next step is to type 'make -f Makefile_at'
>
>
> ========================================================================================================
>
> # AmberTools configuration file, created with: ./configure_at gcc
>
>
> ###############################################################################
>
> # (1) Location of the installation
>
> BINDIR=/home/annie/Amber10/amber10/bin
> LIBDIR=/home/annie/Amber10/amber10/lib
> INCDIR=/home/annie/Amber10/amber10/include
> DATDIR=/home/annie/Amber10/amber10/dat
> NABHOME=/home/annie/Amber10/amber10/dat
>
>
> ###############################################################################
>
>
> # (2) If you want to search additional libraries by default, add them
> # to the FLIBS variable here. (External libraries can also be linked
> into
> # NAB programs simply by including them on the command line; libraries
> # included in FLIBS are always searched.)
>
> FLIBS= $(LIBDIR)/libsym.a $(LIBDIR)/arpack.a $(LIBDIR)/lapack.a
> $(LIBDIR)/blas.a $(LIBDIR)/f2c.a
>
>
> ###############################################################################
>
> # (3) Modify any of the following if you need to change, e.g. to use gcc
> # rather than cc, etc.
>
> SHELL=/bin/sh
>
> # Set the C compiler, etc.
>
> # For GNU: CC-->gcc; LEX-->flex; YACC-->bison -y -t;
> # Note: If your lexer is "really" flex, you need to set
> # LEX=flex below. For example, on many linux distributions,
> # /usr/bin/lex is really just a pointer to /usr/bin/flex,
> # so LEX=flex is necessary. In general, gcc seems to need
> # flex.
>
> CC=gcc
> CXX=g++
> CPLUSPLUS=g++
> CFLAGS= -m32 -DBINTRAJ $(AMBERBUILDFLAGS)
> OCFLAGS=-O3 -m32 -DBINTRAJ $(AMBERBUILDFLAGS)
> NABFLAGS=
> LDFLAGS=
>
> LEX= flex
> YACC= $(BINDIR)/yacc
> AR= ar rv
> M4= m4
> RANLIB=ranlib
>
> # Set the C-preprocessor. Code for a small preprocessor is in
> # uccp-1.3; it gets installed as $(BINDIR)/ucpp;
> # this can generally be used (maybe not on 64-bit machines like altix).
>
> CPP= $(BINDIR)/ucpp -l
>
> # These variables control whether we will use compiled versions of BLAS
> # and LAPACK (which are generally slower), or whether those libraries are
> # already available (presumably in an optimized form).
>
> LAPACK=install
> BLAS=install
> F2C=install
>
> # These variables determine whether builtin versions of certain components
> # can be used, or whether we need to compile our own versions.
>
> UCPP=install
> C9XCOMPLEX=skip
>
> # For Windows/cygwin, set SFX to ".exe"; for Unix/Linux leave it empty:
>
> SFX=
>
> # Information about Fortran compilation:
>
> FC= gfortran
> FFLAGS= -O1 -fno-automatic $(LOCALFLAGS) $(AMBERBUILDFLAGS)
> FREEFORMAT_FLAG= -ffree-form
> LM=-lm
>
> BUILD_SLEAP=install_sleap
> XHOME= /usr/X11R6
> XLIBS= -L/usr/X11R6/lib
> MAKE_XLEAP=install_xleap
>
> NETCDF=netcdf.mod
> NETCDFLIB=../netcdf/lib/libnetcdf.a
> G77=hasG77
>
> # default rules for Fortran and C compilation:
>
> .f.o:
> $(FC) -c $(FFLAGS) -o $. $<
>
> .c.o:
> $(CC) -c $(CFLAGS) -o $. $<
>
> ~
> ~
>
> ===============================================================================================================
>
>
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Tue Jun 08 2010 - 04:30:03 PDT
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