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This PR adds support for passing box cell vectors through to EMLE, allowing calculation of terms that require box information during NPT dynamics. The change is backwards compatible, so existing EMLE code is unaffected.
The PR also adds the
--install-metadataoption to thesetup.pyscript, allowing a non conda-build install of Sire to install metadata such that conda is aware of the installed package, i.e. it won't reinstall Sire if you pull in other conda packages that depend on Sire.develinto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]