some existing COMPILER lines with arch restrictions etc. In the usual
case this is now using "COMPILER = base-clang ports-gcc base-gcc" on
ports with c++ libraries in WANTLIB.
This is basically intended to be a noop on architectures using clang
as the system compiler, but help with other architectures where we
currently have many ports knocked out due to building with an unsuitable
compiler -
- some ports require c++11/newer so the GCC version in base that is used
on these archirtectures is too old.
- some ports have conflicts where an executable is built with one compiler
(e.g. gcc from base) but a library dependency is built with a different
one (e.g. gcc from ports), resulted in mixing incompatible libraries in the
same address space.
devel/gmp is intentionally skipped as it's on the path to building gcc -
the c++ library there is unused in ports (and not built by default upstream)
so intending to disable building gmpcxx in a future commit.
It includes the new Standardized InChI identifier, fixes for many
stereochemistry errors, significantly improved aromatic/Kekule bond
assignment, and coordinate generation. Many more bugfixes and small
improvements are included.
- gcc4 is needed to build this now
* improved force fields and coordinate generation, conformer searching,
enhanced plugins including molecular descriptors, filters, and
command-line transformations
* many formats improved or added, including CIF, mmCIF, Gaussian cube,
PQR, OpenDX cubes, and more
* improved developer API and scripting support
* many, many bugfixes
Open Babel is a chemical toolbox designed to speak the many languages of
chemical data. It's an open, collaborative project allowing anyone to
search, convert, analyze, or store data from molecular modeling,
chemistry, solid-state materials, biochemistry, or related areas.
[...]
ok steven@
