[Debichem-devel] RFH/RFC: gfortran transition (status information)

[Daniel Leidert]

Hi all,

This is a short information about the status of the gfortran transition
of our packages. For a general overview of this transition see
http://wiki.debian.org/GfortranTransition.

Packages affected: mpqc, mopac7, libghemical, ghemical
(other packages like apbs, psicode have already been migrated)

Status of mopac7 (1.13-2/UNRELEASED):

  The package builds with gfortran and f2c, so the main goal to get rid
  of g2c has been achieved.

  The library package(s) have NOT yet been renamed nor are there any
  fixes for .shlibs files or dh_makeshlibs calls. This probably needs to
  be done.

  The package (build-)depends on libf2c2(-dev) instead of libg2c0(-dev)
  now. However, we could get rid of the dependency by building the
  library from the FORTRAN sources. An explanation how to achieve this
  can be found at http://bugs.debian.org/465723 (including a statement
  by Tommi Hassinen). But I'm quite busy atm, so please feel free to
  step forward and take over testing this solution if possible. The
  FORTRAN patch to fix the programming bugs has already been added to
  our SVN. The s_copy() call in fdate.c needs to be replaced.

Status of mpqc (2.3.1-2/UNRELEASED):

  The package builds with gfortran.

  The library package(s) have NOT yet been renamed nor are there any
  fixes for .shlibs files or dh_makeshlibs calls. This probably needs to
  be done.

  BTW: It seems we ships several .la files here - can we get rid of
       them?

Status of libghemical (2.96-2/UNRELEASED):

  The package depends on migrating mpqc and mopac7 to gfortran.

  The package builds with gfortran and migrated mpqc/mopqc7 packages
  (but mopac7 creates a dependency on libf2c2, see mopac7 note).

  The library package(s) have NOT yet been renamed nor are there any
  fixes for .shlibs files or dh_makeshlibs calls. This probably needs to
  be done.
  
Status of ghemical (2.96-3/UNRELEASED):

  The package depends on migrating mpqc, mopac7 and libghemical to
  gfortran.

  The package builds with gfortran and migrated mpqc/mopqc7/libghemical
  packages (but mopac7 creates a dependency on libf2c2, see mopac7
  note).


So the *main* problem left is:

  - check if we need to rename the library packages and/or fix .shlibs
    files/dh_makeshlibs calls (see wiki.d.o)

Additionally:

  - get rid of libf2c2 in MOPAC7 (see #465723)


*ghemical packages are involved in the openbabel transition. So they
should not be uploaded until this transition is done. gchempaint needs
to be built on mips to achieve this:
http://buildd.debian.org/pkg.cgi?pkg=gchempaint
http://people.debian.org/~igloo/status.php?packages=gchempaint

However, mopac7 and mpqc could be uploaded (especially because if we
rename the library packages, they have to go through NEW and this will
take days or weeks as you know).


As a bonus I built all affected packages with GCC 4.3 and gfortran in
pbuilder to check if we fixed all issues. Seems we did :) Packages built
and tested: the above + liboglappth and openbabel.

Regards, Daniel