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What happens if I push all of nixpkgs
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683 B · 47 lines
Nix
123456789101112131415161718192021222324252627282930313233343536373839404142434445464748{ buildPythonPackage, simple-dftd3, cffi, numpy, toml, qcengine, pyscf, ase, pytestCheckHook,}:
buildPythonPackage { format = "setuptools"; inherit (simple-dftd3) pname version src meta ;
# pytest is also required for installation, not only testing nativeBuildInputs = [ pytestCheckHook ];
buildInputs = [ simple-dftd3 ];
propagatedBuildInputs = [ cffi numpy toml ];
checkInputs = [ ase qcengine pyscf ];
preConfigure = '' cd python '';
# The compiled CFFI is not placed correctly before pytest invocation preCheck = '' find . -name "_libdftd3*" -exec cp {} ./dftd3/. \; '';}