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Issues7 (7)

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7 results

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cp2k/cp2k-output-tools

Consider removing upper bound for regex

I am encountering some issues with the packages upper bound dependency on regex. Specifically, for the version on pypi I get help:regex(v2021.11.10) was included becauseipsuite(v0.2.4) depends oncp2k-output-tools(v0.5.0) ...

• PythonFZ
·
• Opened 
  on Apr 14
·
• #51

cp2k/cp2k-output-tools

some thing wrong with regex.search

i just run the template at readme.md, and regex.search is not work. Version: python 3.11 regex 2023.8.8 click 8.1.3 numpy 1.24.3 TypeError Traceback (most recent call last) ...

• jxxcr
·
• 8
·
• Opened 
  on Aug 31, 2023
·
• #34

cp2k/cp2k-output-tools

Please add LICENSE file

thanks!

• chrisjsewell
·
• 1
·
• Opened 
  on Jul 7, 2022
·
• #19

cp2k/cp2k-output-tools

Can this tools parse forces in the output?

As the title. Besides energies, we usually need the forces information for cutoff test. it seems that this tools can t parse the force section.

enhancement

• robinzyb
·
• 1
·
• Opened 
  on Jun 7, 2021
·
• #11

cp2k/cp2k-output-tools

Dependabot couldn't authenticate with https://pypi.python.org/simple/

Dependabot couldn t authenticate with https://pypi.python.org/simple/. You can provide authentication details in your Dependabot dashboard by clicking into the account menu (in the top right) and selecting ...

• dependabot-preview[bot]
·
• Opened 
  on Sep 25, 2020
·
• #4

cp2k/cp2k-output-tools

Dependabot can't resolve your Python dependency files

Dependabot can t resolve your Python dependency files. As a result, Dependabot couldn t update your dependencies. The error Dependabot encountered was: Creating virtualenv cp2k-output-tools-yXix9tuM-py3.8 ...

• dependabot-preview[bot]
·
• Opened 
  on Aug 18, 2020
·
• #3

cp2k/cp2k-output-tools

Dependabot can't resolve your Python dependency files

Dependabot can t resolve your Python dependency files. As a result, Dependabot couldn t update your dependencies. The error Dependabot encountered was: Creating virtualenv cp2k-output-tools-l6k8E8Wb-py3.8 ...

• dependabot-preview[bot]
·
• Opened 
  on Mar 26, 2020
·
• #1

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