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OrderN / CONQUEST-release

Full public release of large scale and linear scaling DFT code CONQUEST
http://www.order-n.org/
MIT License
96 stars 25 forks source link

Tk/ci skeleton #189

Closed tkoskela closed 11 months ago

tkoskela commented 12 months ago

Closes #186

This PR adds a simple CI workflow to the develop branch. At the moment it just checks out the code and builds it. We can add more tests once we have them.

davidbowler commented 12 months ago

Ubuntu includes libXC I think (at least based on a quick search) - I would think that it would be useful to include this in the tests as well. I'm assuming it would be easy to add.

tkoskela commented 12 months ago

The name is a bit ambigous, do you mean this package? I can add it

davidbowler commented 12 months ago

Yes - that's the package - thank you for making it more specific!

tkoskela commented 11 months ago

There is an error from git symbolic-ref HEAD during the build

sed "s/BBB/"`git symbolic-ref HEAD | cut -b 12-`"/" verstr.f90 | sed "s/RRR/"`git describe --tags`"/" >> datestamp.f90
10
fatal: ref HEAD is not a symbolic ref

This is because the action runs on a merge commit, not a branch, as explained in this issue. I assume parsing the branch name fails, but since this only runs in the GHA runner, I don't think we should mind too much.