Switch to libxc3

[tovrstra]

One test consistently breaks, again related to second order derivatives. I can't tell if it is due to the test or due to LibXC. The proper solution is to start using derivcheck instead of all the custom derivatives tests we have now. That is just too much work for what I'd like to get done here.

[tovrstra]

@matt-chan : Can you see what is wrong on buildkite? It does not find the install script for libxc, which I have replaced by a new one. I don't see the script that calls tools/qa/install_libxc-2.2.2.sh in the source tree.

[matt-chan]

Ah the issue is that the name of the build script is called directly from buildkite's config on the website. I guess I should probably change that since there will be more options now.

For now I've put a temporary fix for 3.0.0 by hardcoding both version numbers, otherwise the other builds will break when I change the config. I'll look at making a new parent script that can be stored in the repo. There's going to be some trouble with keeping compatibility with the new branches and old ones. Or maybe we can consider simply calling the script install_libxc.sh?

On Fri, 11 Aug 2017 at 07:41 Toon Verstraelen notifications@github.com wrote:

@matt-chan https://github.com/matt-chan : Can you see what is wrong on buildkite? It does not find the install script for libxc, which I have replaced by a new one. I don't see the script that calls tools/qa/ install_libxc-2.2.2.sh in the source tree.

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[matt-chan]

Okay it looks like it works now

[matt-chan]

Looks good. Is it ready for merging?