Skip to content

replace run_cmd with run_shell_cmd in custom easyblock for GROMACS (gromacs.py)#3131

Merged
jfgrimm merged 2 commits intoeasybuilders:5.0.xfrom
branfosj:20240201132756_new_pr_gromacs
Feb 9, 2024
Merged

replace run_cmd with run_shell_cmd in custom easyblock for GROMACS (gromacs.py)#3131
jfgrimm merged 2 commits intoeasybuilders:5.0.xfrom
branfosj:20240201132756_new_pr_gromacs

Conversation

@branfosj
Copy link
Copy Markdown
Member

@branfosj branfosj commented Feb 1, 2024

(created using eb --new-pr)

  • no use of EB_GROMACS in easyconfigs or blocks

@branfosj
Copy link
Copy Markdown
Member Author

branfosj commented Feb 1, 2024

Test report by @branfosj

Overview of tested easyconfigs (in order)

  • SUCCESS GROMACS-2023.3-foss-2023a.eb
  • SUCCESS PLUMED-2.8.0-foss-2021b.eb
  • SUCCESS GROMACS-2021.5-foss-2021b-PLUMED-2.8.0.eb

Build succeeded for 3 out of 3 (2 easyconfigs in total)
bear-pg0105u03a - Linux RHEL 8.6, x86_64, Intel(R) Xeon(R) Platinum 8360Y CPU @ 2.40GHz (icelake), Python 3.6.8
See https://gist.github.com/branfosj/7b2893d7a36d4e0b6623708c414af37f for a full test report.

Copy link
Copy Markdown
Member

@jfgrimm jfgrimm left a comment

Choose a reason for hiding this comment

The reason will be displayed to describe this comment to others. Learn more.

lgtm

@jfgrimm jfgrimm merged commit f38ddcf into easybuilders:5.0.x Feb 9, 2024
@branfosj branfosj deleted the 20240201132756_new_pr_gromacs branch February 9, 2024 13:32
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

Projects

No open projects
Status: No status

Development

Successfully merging this pull request may close these issues.

2 participants