QE 7.2 on conda forge with Environ 3.0 compiled

conda-forge / qe-feedstock

A conda-smithy repository for qe.

BSD 3-Clause "New" or "Revised" License

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QE 7.2 on conda forge with Environ 3.0 compiled #50

Open chanyongkeat opened 7 months ago

chanyongkeat commented 7 months ago

Comment:

Does QE 7.2 on conda forge come with Environ 3.0 compiled together? Environ 3.0 library is important in QE when simulating system with solvent effects.

ltalirz commented 7 months ago

maybe install it and give it a try?

otherwise, here is the link to the build script https://github.com/conda-forge/qe-feedstock/blob/dc15f22253f4654102e3bb8ba1f0175f893c9dc1/recipe/build.sh#L16-L26

if it's just about adding an additional cmake options, feel free to add it and open a pull request