Cp2k-input-tools

Latest version: v0.9.1

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0.7.2

* relax click dependency to permit 7.1.x

0.7.1

* updated XML definition to include SIRIUS options
* the `emit_comments` argument of the `datafile_iter` is now properly respected
* files generated with `cp2kgen` now have a comment header to indicate
how they were generated

0.7.0

* add new `cp2k-datatafile-lint` script to lint/pretty-print CP2K datafiles (pseudos/basissets)
* switch to click for CLI generation
* tighten internal parser types by using `dataclasses` and `mypy`
* include CLI in docs

0.6.3

* fix the language-server-protocol implementation
various errors, introduced by pygls update, not detected by running tests due to bogus skip structure
* update CP2K XML schema to get revised libxc sections (42)
* update jinja2 and sphinx dependencies

0.6.2

* fix bug in the simplified parser where repeated keywords were not emitted properly,
again 32 but slightly different. This reintroduced the usage of tuples for
multi-word keywords as a way to do repeated keyword and multi-word merging.
Mostly visible internally since JSON and YAML do not emit tuples.
* introduce switch to select the string to which a repeated default keyword is mapped to,
as it seems, aiida-cp2k chose `" "` (one space), as requested in 36

0.6.1

* fix bug in the simplified parser where repeated keywords were not emitted properly (32)

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