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Dear colleagues:
I've gotten several emails and did a few things over the weekend.
Here's a summary:
1. Why use gfortran? Good question. g77-3.4.x works obsolutely
fine with gcc4.0.0, 4.0.1, but the Free Software Foundation has
discontinued development of g77 as of release 4.x, so eventually g77
may not be available as an option. For now, though, g77 works fine
with gcc at least through 4.1. There are some problems with 4.0.2,
at least on os x.
2. gfortran-4.1 works much better than 4.0. On OS X (with a little
coaxing) and on Ubuntu debian linux, it can compile everything. The
most significant problem I have encountered is with mosflm. It
doesn't work with 4.1. I haven't tried 4.2.
3. If you use fink to install gfortran on OS X, you will get an
older version that breaks a whole pile of ccp4 programs. I made my
own more recent version, from Dec 3rd's cvs release, and compiled
it. You can grab it here if you want:
http://xanana.ucsc.edu/fink/10.4-transitional/local/main/binary-
darwin-powerpc/gcc4_4.1.0-20051203_darwin-powerpc.deb
and install it with fink or just by issuing
sudo dpkg -i gcc4_4.1.0-20051203_darwin-powerpc.deb
Dirk Kostrewa says you can get a non-fink version here:
http://gcc.gnu.org/wiki/GFortranBinaries#MacOS
4. With gfortran4.1 on OS X or linux, everything compiled. Both
passed almost all of the runnable examples tests.
OSX: http://www.chemistry.ucsc.edu/%7Ewgscott/xtal/gfortran_4.1.log
Ubuntu Linux: http://xanana.ucsc.edu/linux/logs/run_all.log (hangs
on findncs.exam )
However, mosflm does not work.
5. For my working ccp4 installations, I am sticking with g77-3.4.x
for now. On OSX, you can use the latest entry in fink. If you do it
manually, it might be easier to use gfortran and then build mosflm
separately or grab the binary, but there may be some run-time surprises.
All the best,
Bill Scott
