Cristian Le

If you want to make this package available on Fedora, it is quite simple these days and there are CI tools that help you automate this. Here is the CI...

ci: Add various CI tools

3

Here are some of the CI tools for #35. It seems you need to configure the repository to request approval or specify how GH action should run. Can check run...

CI tools

4

Some useful tooling that could be implemented. Let me know if you want some help with any of these: - [ ] ReadTheDocs + sphinx: Documentation engine - [ ]...

Make project compatible with `FetchContent`

6

There are a few issues that should be resolved to make importing `find_package` and `FetchContent` equivalent: - [ ] alias library: `fdict` -> `fdict::fdict` - [ ] namespace targets, options,...

Clarify the api

2

It is not so clear what the api for the `dictionary` and `variable` are. Ideally there should be a table matching the C++/Python interface to the fortran one. Basic API...

feat: Fedora packaging

28

This adds packaging CI/CD for Fedora: - When a new release is pushed, a pull-request is created at https://src.fedoraproject.org/rpms/dbcsr - For each PR/commit to `develop`, the packaging is tested in...

Add CMake `PROCESSORS` properties

4

This property will allow to properly parallelize `ctest -j` calls

Consuming groups in function arguments

2

This might be a bit tricky to implement, but would be nice to have: ```python @click.command @optgroup.group('My group', 'my_group') @optgroup.option('--foo') @optgroup.option('--bar') @click.option('--click-option') def my_func(my_group,click_option): pass ``` I.e. access the whole...

For now, just running mypy. There are not many things to fix thankfully though

For example, consider the `spectroscopy` context: ``` @context(n=1) spectroscopy = sp ``` There the conversion depends on the variable `n` used. Now, consider a `DataArray`/`DataSet` where `n` is a `dimension`/`coordinate`....