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[×ÊÔ´] [·ÖÏí]abinitϵͳ¹ÜÀíת±ä

Harnessing the power of modern package management tools for a large
Fortran-90-based project: the mutation of ABINIT

ABINIT is a Fortran 90 free software application that allows the atomic-scale simulation
of properties of matter, thanks to Density Functional Theory and Many-Body Perturbation
Theory. It is used by more than thousand individuals, who enjoy the wide spectrum of
properties that ABINIT allows to compute easily. Several dozen developers contribute to
ABINIT from different parts of the world. In 2004, it was perceived that a change of the
paradigm for source and package management was needed, in order to benefit from standard
package management tools. Thus started a noticeable mutation of ABINIT.
Although the restructuration of the Fortran 90 source directories was needed, the biggest
clarification arose from understanding the different kinds of people linked to ABINIT, i.e.
end-users, developers and maintainers, and the parts of the package they should have access
to or control of. Previously, everyone was modifying the source and build system, while
further advances required more specialisation in the community, e.g. the management of ex-
ternal libraries, in growing number, which has to be done by skilled maintainers. To address
the issues raised by Fortran compilers, and because the ABINIT developers are mostly scien-
tists, it was decided to provide support beyond the GNU Autotools (nowadays the paradigm
for binary/package generation) by developing a new build system on top of it. While building
ABINIT is now much simpler for end-users, we have had to deal carefully with the additional
complexity encountered by developers and maintainers. We discuss the issues that appeared
during the mutation.
All these efforts now guarantee further extensibility and maintainability of ABINIT,
and have nicely improved its visibility in different communities, with the integration of
the packages into the Debian, Gentoo and Ubuntu Linux distributions. Being generic and
portable, the new build system might be used in the future by other projects as well.


http://www.namipan.com/d/Highlig ... 5fa267da465b9370500

[ Last edited by wuli8 on 2009-2-22 at 19:39 ]
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