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

Initial NAMD Integration #4

Open
ljwoods2 opened this issue Aug 31, 2024 · 0 comments
Open

Initial NAMD Integration #4

ljwoods2 opened this issue Aug 31, 2024 · 0 comments

Comments

@ljwoods2
Copy link
Collaborator

ljwoods2 commented Aug 31, 2024 •
edited
Loading

After IMDSessionInfo is implemented in NAMD it will be ready for initial integration testing with the client.

Add:

  • namd_integration.yaml in .github/workflows
  • imdclient/tests/test_namd.py
  • Any input files/topologies/reference trajectories necessary for testing to imdclient/data & imdclient/tests/datafiles.py

Use:

  • Base class for integration tests (feel free to modify): imdclient/tests/base.py

Reference:

  • lammps_integration.yaml
  • imdclient/tests/test_lammps.py
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees
No one assigned
Labels
None yet
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
1 participant
@ljwoods2