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Integrate Pyvotca #7

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NicoRenaud opened this issue Sep 13, 2022 · 2 comments
Open

Integrate Pyvotca #7

NicoRenaud opened this issue Sep 13, 2022 · 2 comments
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vota/xtp issue for xtp project

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NicoRenaud commented Sep 13, 2022 •
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Many functionalities have already been developed in pyvotca . We should integrate all of that under the pyxtp directory so that we don't have to recode all of it.
@NicoRenaud NicoRenaud self-assigned this Sep 13, 2022
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One issue it to see how to automatically install the dependencies within CMAKE and in the right environment. There is some doc I have to look into : https://www.scivision.dev/cmake-install-python-package/

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XML parser is fixed. Working now on my own branch : https://github.com/NicoRenaud/votca/tree/pybind11_nico_

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vota/xtp issue for xtp project
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