Ok - the problem is that 'sff' tries to build an amber rism module even if
$RISM = no.
However, disabling the building of sff leads to problems building nss in NAB
which needs libsff. I can disable nss as well but other parts of nab need it
as well. The only solution I could find was to disable building nab
completely.
Any better ideas for fixing?
All the best
Ross
> -----Original Message-----
> From: Ross Walker [mailto:ross.rosswalker.co.uk]
> Sent: Friday, March 16, 2012 4:24 PM
> To: AMBER Developers Mailing List
> Subject: [AMBER-Developers] Builds of AMBER 12 with gcc 4.1.2 failing
>
> Hi All,
>
> There seem to be issues compiling AMBER 12 on Redhat 5 which has gcc
> 4.1.2.
> The configure suggests it is working fine:
>
> ./configure gnu
>
> ....
> Obtaining the gnu suite version:
> gcc -v
> The version is 4.1.2
> Skipping the parts of AmberTools that depend on fftw3
> ....
>
>
> But then running make gives:
>
> make[3]: Entering directory `/server-
> home/rcw/amber/AmberTools/src/rism'
> gfortran -c -DBINTRAJ \
> \
> -O3 -ffree-form -I/server-home/rcw//amber/include
> -I/server-home/rcw//amber/include \
> -o rism_report_c.o rism_report_c.F90
> gfortran -c -DBINTRAJ \
> \
> -O0 -ffree-form -I/server-home/rcw//amber/include
> -I/server-home/rcw//amber/include \
> -o fftw3.o fftw3.F90
> In file fftw3.F90:33
>
> use, intrinsic :: iso_c_binding
> 1
> Error: Unclassifiable statement at (1)
> In file fftw3.f03:3
>
> Included at fftw3.F90:37
>
> integer, parameter :: C_FFTW_R2R_KIND = C_INT32_T
> 1
> Error: Parameter 'c_int32_t' at (1) has not been declared or is a
> variable,
> which does not reduce to a constant expression
> In file fftw3.f03:5
>
> So it still tries to build rism.
>
> but config.h in $AMBERHOME looks good:
>
> #1D-RISM
> RISM=no
>
> #3D-RISM NAB
> RISMSFF=
> TESTRISMSFF=
>
> #3D-RISM SANDER
> RISMSANDER=
> SANDER_RISM_INTERFACE=
> FLIBS_RISMSANDER=
> TESTRISMSANDER=
>
> but it looks like in $AMBERHOME/AmberTools/src/Makefile it still tries
> to
> build RISM for NAB
>
> # nab:
> (cd cifparse && $(MAKE) install )
> (cd sff && $(MAKE) install )
> (cd pbsa && $(MAKE) libinstall )
> (cd rism && $(MAKE) $(RISM) )
> (cd nab && $(MAKE) install )
> (cd nss && $(MAKE) install )
>
> so it calls the RISM makefile with $1 as 'no' but then the RISM
> Makefile
> does not seem to know how to process that:
>
> .PHONY: yes no \
> librism librism_mpi rism1d$(SFX) \
> rism3d.snglpnt$(SFX) rism3d.snglpnt.MPI$(SFX) \
> install install_mpi uninstall clean
>
> ...
> ...
> yes: install
>
> no:
>
> install: librism rism1d$(SFX)
> /bin/mv rism1d$(SFX) $(BINDIR)
> ...
> ...
>
> So 'make no' still leads to it being built.
>
> Any ideas? - maybe the order needs changing here?
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Assistant Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may
> not
> be read every day, and should not be used for urgent or sensitive
> issues.
>
>
>
>
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Received on Fri Mar 16 2012 - 17:30:03 PDT
