Project status?

[blokhin]

Hi Yann, Damien, James!

Your library looks very interesting. Right now I have to use pymatgen for CIF parsing, however it's quite heavyweight and not really a narrow-purpose tool. Do you plan to continue the development of this library? e.g. python bindings would be very desirable.

Cheers,
EB

[merkys]

@blokhin, may I suggest COD CIF parser for your purpose? It's in C language and has bindings for both Perl and Python (see pycodcif on PyPI). I have published a paper (Merkys et al., 2016) comparing it to other general/special purpose CIF parsers.

[blokhin]

@merkys Saulius told me once, that COD CIF parser is written in Perl, and so I was hesitant to use it, because I am afraid of Perl :) But if you say it's C, then I'll try, thanks!

[merkys]

@blokhin, we have rewritten the parser in C in order to speed it up and to make it re-usable in other languages.

[pouillon]

Hi,

The development of LibCIF is currently stalled for lack of volunteers. We will have an important ESL workshop in February and will decide by then, or before, what to do with it. COD CIF could actually be an interesting alternative if we are able to provide Fortran wrappers on top of its C code.

I will put it as an item for our next ESL monthly meeting and keep you informed here of our discussions.