Thomas Kittelmann

Results 105 issues of Thomas Kittelmann

Several plugins will need updating after NCrystal4 is out, in order to keep working. We will use this issue to track this effort. Related to #215.

plugins

It would be super useful if we could have a special package (on pypi most likely) which would be able to test any NCrystal installation, be it manually installed, installed...

enhancement
deployment
tests

At some point, it would probably be a good idea to enforce some coding style. Perhaps with something like `clang-format --style=file` for C++/C, and `black -x --line-length 80 --check` for...

enhancement
noturgent

We have discussed this for years, but apparently there is not a dedicated issue for it yet: NCrystal needs a proper website. It should be based on sphinx and live...

enhancement
documentation
data library

mmcif files (larger biological structures) are not exactly the same format as CIF files, so out of the box we don't support them currently. However, gemmi can read these files,...

enhancement
python
data library

We are not currently testing `-DNCRYSTAL_ENABLE_THREADS=OFF` anywhere in CI, which is a mistake.

enhancement
tests

Trying to use `Hist1D` from `NCrystal/internal/utils/NCHists.hh` in a downstream project gives compilation errors if trying to use: ```c++ using Hist1D = NCrystal::Hists::Hist1D

bug
noturgent
fix-incoming

It seems that the conda-forge people added support for abi3 now, so perhaps we can use it to reduce the number of ncrystal-python (etc.) packages? https://conda-forge.org/docs/maintainer/knowledge_base/#packages-with-abi3-extensions

python
deployment

Do we actually support and test smin=0? In the PbO test I get a crash if I try this value. If it is not supported, we should document and catch...

endf

During the sprint towards release 4.2.0 a fixme in ncmat2endf_utils.py concerning check_edge_positions has been converted to a todo and should be addressed.

endf