Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Updating workflows/computational-chemistry/gromacs-mmgbsa from 0.1.3 to 0.1.4 #134

Conversation

planemo-autoupdate
Copy link
Contributor

Hello! This is an automated update of the following workflow: workflows/computational-chemistry/gromacs-mmgbsa. I created this PR because I think one or more of the component tools are out of date, i.e. there is a newer version available on the ToolShed.

By comparing with the latest versions available on the ToolShed, it seems the following tools are outdated:

  • toolshed.g2.bx.psu.edu/repos/chemteam/gmx_setup/gmx_setup/2021.3+galaxy0 should be updated to toolshed.g2.bx.psu.edu/repos/chemteam/gmx_setup/gmx_setup/2022+galaxy0
  • toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf/gmx_editconf/2021.3+galaxy0 should be updated to toolshed.g2.bx.psu.edu/repos/chemteam/gmx_editconf/gmx_editconf/2022+galaxy0
  • toolshed.g2.bx.psu.edu/repos/chemteam/gmx_solvate/gmx_solvate/2021.3+galaxy1 should be updated to toolshed.g2.bx.psu.edu/repos/chemteam/gmx_solvate/gmx_solvate/2022+galaxy0
  • toolshed.g2.bx.psu.edu/repos/chemteam/gmx_em/gmx_em/2021.3+galaxy1 should be updated to toolshed.g2.bx.psu.edu/repos/chemteam/gmx_em/gmx_em/2022+galaxy0
  • toolshed.g2.bx.psu.edu/repos/chemteam/gmx_sim/gmx_sim/2021.3+galaxy2 should be updated to toolshed.g2.bx.psu.edu/repos/chemteam/gmx_sim/gmx_sim/2022+galaxy0
  • toolshed.g2.bx.psu.edu/repos/chemteam/md_converter/md_converter/1.9.6+galaxy0 should be updated to toolshed.g2.bx.psu.edu/repos/chemteam/md_converter/md_converter/1.9.7+galaxy0
  • toolshed.g2.bx.psu.edu/repos/nml/collapse_collections/collapse_dataset/4.2 should be updated to toolshed.g2.bx.psu.edu/repos/nml/collapse_collections/collapse_dataset/5.1.0

The workflow release number has been updated from 0.1.3 to 0.1.4.

planemo-autoupdate and others added 22 commits November 2, 2022 12:52
@nsoranzo
Copy link
Member

nsoranzo commented Nov 9, 2023

Are the commits changing just the "Create GRO and TOP complex files" subworkflow uuid a bug of planemo or the autoupdate, or not a bug?

@mvdbeek mvdbeek closed this Nov 10, 2023
@mvdbeek mvdbeek deleted the workflows/computational-chemistry/gromacs-mmgbsa branch November 10, 2023 10:51
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

3 participants