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fangohr / octopus-in-spack

Develop Octopus in spack (software packaging)
BSD 3-Clause "New" or "Revised" License
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Fix libxc5 version for latest octopus #81

Open iamashwin99 opened 1 year ago

iamashwin99 commented 1 year ago

Octopus supports only libxc 5 for modern versions of octopus. This MR fixes libxc version from 5.1.0 to 5.2.3 for octopus greater than 10. Fixes partly #78

fangohr commented 1 year ago

Thanks!

If Octopus is compatible with libxc5.X, would it not be better to allow also future updates of libxc5? There is a syntax for this in spack, something like libxc@5.1.0:5 (please check).

This would be good, because libxc may fix a bug, and update the release or minor version number (libxc@5.2.4), and then spack should pick the most recent libxc version (the one with the bug fix, i.e. 5.2.4). I understand the current MR so that we would at most use the current libxc version (5.2.3).

iamashwin99 commented 1 year ago

I tried by trial and error and noted that libxc@5.1.0:5 does seem to be the range we want