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Examples of a valid .inp-s that give an error, conda install #111

Description

@PolyachenkoYA

My setup
python3.9, install from conda-forge::cp2k-input-tools which seems to have 0.8.2 version. (Is this supported? I don't see a conda install option in this repo's install instructions, but conda-forge's instructions have it ). The CP2K that was able to run (thus verify) all the files I mentioned here is a 2025.1 container.

Current behaviour

  1. I get an error Can't trigger event quote_char from state comment! if I try to parse this file. The reason is not immediately clear to me. The file was successfully run by CP2K 2025.1 container, so I think it is a fully valid input file.

  2. I was getting another error from this file. I was able to fix it by changing ABSOLUTE_POSITION to ABSOLUTE_POSITION T.

Here is the script to reproduce both errors.

Desired behaviour

  1. No error
  2. Also no error, but here the reason is more clear: the official docs say it's possible to use a lone keyword to set this flag to T, but the parser does not know this and always expects an argument T/F

Activity

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