Hi,
On Mon, Aug 03, 2009 at 03:45:10PM -0400, case wrote:
> Just a note: Ross and I have made a largish cleanup of the files in the
> sander and sqm directories. You will probably need to do a cvs update
> of everything, and re-run configure_amber and configure_at.
>
> Also, files that used to be present in both the sander and sqm directories are
> now only in sqm. If you have modifications that are not checked in (to qm2_*
> files), you may need to copy those files to the sqm directory, and check them
> in from there.
Since amber tools now requires a fortran compiler, why not
merge configure_amber and configure_at back into the single configure ?
One reason to merge is that amber cannot be built with pgf90 since
the lib makefile now includes config.h:
Starting installation of Amber11 (serial) at Mon Aug 3 20:38:24 EDT 2009.
cd lib && make install
make[1]: Entering directory `/nfs/10/srb/amber/amber11/src/lib'
cpp -traditional -P -xassembler-with-cpp -Dsecond=ambsecond new2oldparm.f > _new2oldparm.f
gfortran -c -O2 -o new2oldparm.o _new2oldparm.f
...
cd addles && make install
make[1]: Entering directory `/nfs/10/srb/amber/amber11/src/addles'
cpp -traditional -P -DNO_SANDER_DIVCON -DBINTRAJ lesmain.f > _lesmain.f
pgf90 -c -O1 -o lesmain.o _lesmain.f
...
cd ../lib; make random.o mexit.o nxtsec.o
make[2]: Entering directory `/nfs/10/srb/amber/amber11/src/lib'
make[2]: `random.o' is up to date.
cpp -traditional -P -xassembler-with-cpp -Dsecond=ambsecond mexit.f > _mexit.f
gfortran -c -O2 -o mexit.o _mexit.f
make[2]: `nxtsec.o' is up to date.
make[2]: Leaving directory `/nfs/10/srb/amber/amber11/src/lib'
pgf90 -o addles lesmain.o addspace.o readprm.o writprm.o readcrd.o writcrd.o pick.o
rline.o nxt.o intgr.o find.o of.o geti.o unit.o getc.o alert.o echo.o get4c.o getd.o wlesprm.o lesprm.o les2prm.o checksz.o addspace_atm1st.o ../lib/random.o ../lib/mexit.o ../lib/nxtsec.o
../lib/random.o: In function `gauss_gen_':
_random.f:(.text+0x469): undefined reference to `_gfortran_st_write'
_random.f:(.text+0x47b): undefined reference to `_gfortran_transfer_character'
...
There are many possible patches, but this looks like a good opportunity to
clean the configure situation.
Scott
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Received on Wed Aug 19 2009 - 20:20:53 PDT
