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theochem / horton

HORTON: Helpful Open-source Research TOol for N-fermion systems
http://theochem.github.io/horton/
GNU General Public License v3.0
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added doc test #177

Closed matt-chan closed 8 years ago

tovrstra commented 8 years ago

The documentation build requires LibXC to be installed (or at least unpacked) in ${QAWORKDIR}. This can be done with:

./tools/qa/install_libxc-2.2.2.sh

The first time it is executed, it will take a few minutes but it is negligible on subsequent runs. It would not be good to use this during the build process because we depend on a specific version of LibXC. (Older ones may work but to not contain all the functionals listed in the documentation.)

matt-chan commented 8 years ago

@tovrstra Ready for review!

Most of the changes are buildkite-side

matt-chan commented 8 years ago

Fixes #164

tovrstra commented 8 years ago

Looks good. EOL problem again though. Please check editor settings.

Remotely related comment: we should probably not re-download the atoms time and time again because this file is not meant to be changed anymore. In future, a database of elements should contain basic pro-atoms and this archive will be retired as soon as that is available. There will certainly be no effort to make a new version of this file.

tovrstra commented 8 years ago

Other than EOL, ready to be merged.

tovrstra commented 8 years ago

Looks good. Merging