ccsb-scripps / AutoDock-GPU

AutoDock for GPUs and other accelerators
https://autodock.scripps.edu
GNU General Public License v2.0
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feat/Enable Github Actions CI CMake build #176

Open sisco0 opened 2 years ago

sisco0 commented 2 years ago

This PR solves https://github.com/ccsb-scripps/AutoDock-GPU/issues/173 secondary task, which enables CI to be integrated into the project.

The enablement of this CI workflow would give the project development process more quality and consistency over inter-release updates. Also, take into account that testing is enabled but could not be run for local processes, as Github Actions runners do not contain GPU.

This PR must be merged only after merging https://github.com/ccsb-scripps/AutoDock-GPU/pull/174, it was created this way for separating tasks in the same issue.

A log of the CI test runs is presented at https://github.com/sisco0/AutoDock-GPU/actions where artefacts could be downloaded as well.

Click here to see Github Action run screen ![image](https://user-images.githubusercontent.com/25695302/151715789-d43717a8-8f68-4686-8541-81a089a87ce9.png)
atillack commented 2 years ago

@sisco0 After some internal deliberations amongst our team we decided that we'd like to move forward with both the GH action and Cmake compilation you implemented in one PR.

As this PR is PR 174 + GH actions I would suggest closing PR 174 and to focus on adding any remaining work to this one.

Before merging, here is a list of features still missing:

AenBleidd commented 1 year ago

Any updated on this? Would be very nice to have it merged, and optionally (this I might handle by myself) to have in decomposed into library + application that uses this library, since it might be helpful to anyone who would like to integrate your solution into their workflow more smoothly.