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dftlibs / xcfun

XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
https://dftlibs.org/xcfun/
Mozilla Public License 2.0
57 stars 32 forks source link

XCFun as a Spack package #120

Closed robertodr closed 4 years ago

robertodr commented 4 years ago

XCFun is now available as a Spack package: https://github.com/spack/spack/blob/develop/var/spack/repos/builtin/packages/xcfun/package.py

This should be mentioned in the README.md and in the docs.

bast commented 4 years ago

I will add that in my round when working on #119.

robertodr commented 4 years ago

Thank you! XCFun can now be installed in a Spack environment with:

spack env create myenv
spack env activate myenv
spack install xcfun

The Python module will be available on PYTHONPATH.

bast commented 4 years ago

Thanks I will add that info and then you can refine it.