chemfiles/chemfiles: Version 0.10.0

A new version of chemfiles is ready! You can see the full list of changes in the CHANGELOG, some of the most important are summarized here.

This release could not have been what it is without the involving a lot of contributors! Many thanks to all of them: @luthaf, @frodofine, @ezavod, @fxcoudert, @mdimura, @sguionni and @jmintser!

This releases adds support for one new format, the CIF format as used in the crystallography community. This format is parsed using GEMMI, many thanks to them!

We added read and write support for extended XYZ. The XYZ format now default to extended output, and read extended files. Extended XYZ allow storing unit cell and arbitrary atomic properties in the XYZ comment line.

Finally, you can now open compressed gzip (.gz) trajectories in append mode, adding new gzip stream to the file.

The main change for this release is the ability to read and write files directly in-memory, without going through a file.

We also changed the UnitCell representation to the full cell matrix instead of a/b/c/alpha/beta/gamma: this allow to store cells which are not aligned with the x/y/z axis.

Selections now support for sub-selection in functions, for example you can now use distance(#1, name O) < 3 to select all atoms less than 3A from any oxygen atom.