Skip to content

set required Python environment variables when installing lammps Python package#3915

Merged
boegel merged 1 commit intoeasybuilders:developfrom
Flamefire:20250902140248_new_pr_lammps
Sep 10, 2025
Merged

set required Python environment variables when installing lammps Python package#3915
boegel merged 1 commit intoeasybuilders:developfrom
Flamefire:20250902140248_new_pr_lammps

Conversation

@Flamefire
Copy link
Copy Markdown
Contributor

@Flamefire Flamefire commented Sep 2, 2025

(created using eb --new-pr)

@Flamefire Flamefire mentioned this pull request Sep 2, 2025
Merged
@Flamefire
Copy link
Copy Markdown
Contributor Author

Flamefire commented Sep 4, 2025

Test report by @Flamefire

Overview of tested easyconfigs (in order)

  • SUCCESS Qt6-6.7.2-GCCcore-13.3.0.eb
  • SUCCESS VTK-9.3.1-foss-2024a.eb
  • SUCCESS LAMMPS-29Aug2024_update2-foss-2024a-kokkos.eb

Build succeeded for 3 out of 3 (1 easyconfigs in total)
n1607 - Linux RHEL 8.9 (Ootpa), x86_64, Intel(R) Xeon(R) Platinum 8470 (sapphirerapids), Python 3.9.18
See https://gist.github.com/Flamefire/e2dee59e13ce1bb510aacac5d85b9613 for a full test report.

@Flamefire
Copy link
Copy Markdown
Contributor Author

Flamefire commented Sep 5, 2025

Other test report: easybuilders/easybuild-easyconfigs#23774 (comment)

@boegel boegel added this to the release after 5.1.2 (5.2.0?) milestone Sep 10, 2025
@boegel boegel changed the title Set required Python environment variables when installing lammps Python package Set required Python environment variables when installing lammps Python package Sep 10, 2025
boegel
boegel approved these changes Sep 10, 2025
View reviewed changes
Copy link
Copy Markdown
Member

@boegel boegel left a comment

Choose a reason for hiding this comment

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

lgtm

@boegel
Copy link
Copy Markdown
Member

boegel commented Sep 10, 2025

Test report by @boegel

Overview of tested easyconfigs (in order)

  • SUCCESS LAMMPS-29Aug2024_update2-foss-2024a-kokkos.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3522.doduo.os - Linux RHEL 9.4, x86_64, AMD EPYC 7552 48-Core Processor (zen2), Python 3.9.18
See https://gist.github.com/boegel/f63f11d86b72bd310986634ffa0232c6 for a full test report.

@boegel
Copy link
Copy Markdown
Member

boegel commented Sep 10, 2025

Test report by @boegel

Overview of tested easyconfigs (in order)

  • SUCCESS LAMMPS-2Aug2023_update2-foss-2023a-kokkos-CUDA-12.1.1.eb

Build succeeded for 1 out of 1 (1 easyconfigs in total)
node3904.accelgor.os - Linux RHEL 9.4, x86_64, AMD EPYC 7413 24-Core Processor (zen3), 1 x NVIDIA NVIDIA A100-SXM4-80GB, 570.133.20, Python 3.9.18
See https://gist.github.com/boegel/4c541e16a4fd4d80b4d8e74b5cb1ddb1 for a full test report.

@boegel boegel merged commit bdec17b into easybuilders:develop Sep 10, 2025
17 checks passed
@Flamefire Flamefire deleted the 20250902140248_new_pr_lammps branch September 10, 2025 15:54
@boegel boegel changed the title Set required Python environment variables when installing lammps Python package set required Python environment variables when installing lammps Python package Sep 24, 2025
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Reviewers

@boegel boegel boegel approved these changes

Assignees

No one assigned

Labels

enhancement

Projects

None yet

Milestone

5.1.2

Development

Successfully merging this pull request may close these issues.

2 participants

@Flamefire @boegel
⚡