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Packaging Abinit
================
Which versions may be packaged?
-------------------------------
Abinit uses a x.y.z version numbering scheme, with the following
meanings:
* x: major version number, changes around every 5 years
* y: minor version number
+---> even values : production releases
+---> odd values : development releases
* z: patch level, usually between 0 and 3
Development releases should not be packaged.
External packages on which Abinit is dependent
----------------------------------------------
Abinit depends on several other packages:
* BLAS (mandatory)
* LAPACK (mandatory)
* NetCDF (mandatory)
* LibXC (mandatory)
* AtomPAW (may safely be disabled)
* BigDFT (may safely be disabled)
* Wannier90 (recommended)
It is possible to build them within Abinit, by using the corresponding
--with-(dft|linalg|trio)-flavor flags of the configure script. In this
case their source tarballs will be downloaded from their home pages or
the Abinit website, and stored into ~/.abinit/tarballs in order to avoid
multiple downloads, unless you use the --with-fallbacks-tardir option of
configure.
The best way to deal with external packages is however to make use of
pre-compiled versions already available on your system. In this case you
may use the --disable-fallbacks option of configure, in conjunction with
the following options:
* --with-*-bins, for the executables;
* --with-*-incs, for the C headers and Fortran modules;
* --with-*-libs, for the libraries.
Please note that "make -j<n>" will work only if you use externally
compiled packages. Having external BLAS, LAPACK, and NetCDF libraries
may nonetheless be sufficient.
Other external packages
-----------------------
Abinit may use the following other packages:
* FFTW3;
* ScaLAPACK.
Building Abinit
---------------
The configure script of Abinit provides many options, in order to keep
manual adjustments of the environment variables at the minimum. It is
also possible to store the options in a config file (see
~abinit/doc/build/config-template.ac9 for details), in order to facilitate
the reuse of platform-specific options. When packaging Abinit you will
likely want to disable this mechanism, by using the
--disable-config-file option of configure, or provide your own version
through the --with-config-file option.
Build flags are managed so that one can tune separately:
* debug flags (--with-*-dbgflags options);
* optimization flags (--with-*-optflags options);
* hints necessary to have the compilers behaving properly
(--enable-hints option).
It is however possible to bypass this mechanism by manually providing
CFLAGS, CXXFLAGS, and FCFLAGS, which, when set, will systematically
override the build system settings.
Testing Abinit
--------------
At present 'make check' runs the whole serial part of the Abinit test
suite, comprising more than 600 tests, which can at times prove quite
computer-intensive. We have started to work on making a reduced
selection of the most frequently failing tests, that would be more
suitable for packaging.
Abinit does not yet provide unit tests. A partial coverage of the code
at this level will be provided in the future.
Installing Abinit
-----------------
Abinit now installs in a FHS-compliant way, hence there should not be
any particular issue at the packaging level. It currently installs the
main programs, the documentation, and the test suite (in
<prefix>/share/abinit). Manpages will come as well at some point in the
future (help is gladly welcome).
Troubleshooting
---------------
Please contact Yann Pouillon <yann.pouillon@ehu.es> should you encounter
any important issue.
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