dev-zero / cp2k

Quantum chemistry and solid state physics software package
https://www.cp2k.org
GNU General Public License v2.0
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cmake: add 'python-bindings' target to build Python-bindings for libcp2k #30

Open dev-zero opened 3 years ago

dev-zero commented 3 years ago

also include things like cp2k --version, see also https://github.com/cp2k/cp2k/issues/1273 (and the latest failures on Alps/Eiger)

include grid_unittest