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.

Sign up for GitHub

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

Jump to bottom

Re-enable cp2k example #44

Merged
merged 2 commits into from
Mar 26, 2024
Merged

Re-enable cp2k example #44

merged 2 commits into from
Mar 26, 2024

Conversation

Luthaf
Copy link
Contributor

@Luthaf Luthaf commented Mar 26, 2024

No description provided.

@Luthaf Luthaf requested a review from PicoCentauri March 26, 2024 11:01
@Luthaf
Copy link
Contributor Author

Luthaf commented Mar 26, 2024

So the only solution to install cp2k everywhere was to install it manually with the right tool (conda/brew) inside the script.

PicoCentauri
PicoCentauri reviewed Mar 26, 2024
View reviewed changes
Copy link
Collaborator

@PicoCentauri PicoCentauri left a comment

Choose a reason for hiding this comment

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

Very nice! One quick comment.

examples/batch-cp2k/reference-trajectory.py Outdated Show resolved Hide resolved
@PicoCentauri PicoCentauri merged commit 3a073a0 into main Mar 26, 2024
7 checks passed
@PicoCentauri PicoCentauri deleted the cp2k branch March 26, 2024 11:51
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Reviewers

@PicoCentauri PicoCentauri PicoCentauri left review comments

Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

Successfully merging this pull request may close these issues.
2 participants
@Luthaf @PicoCentauri