70 lines
920 B
Nix
70 lines
920 B
Nix
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{
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buildPythonPackage,
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meson,
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ninja,
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pkg-config,
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tblite,
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numpy,
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simple-dftd3,
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cffi,
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gfortran,
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blas,
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lapack,
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mctc-lib,
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mstore,
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toml-f,
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multicharge,
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dftd4,
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setuptools,
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}:
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buildPythonPackage {
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inherit (tblite)
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pname
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version
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src
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meta
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;
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nativeBuildInputs = [
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tblite
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meson
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ninja
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pkg-config
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gfortran
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mctc-lib
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setuptools
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];
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buildInputs = [
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tblite
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simple-dftd3
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blas
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lapack
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mctc-lib
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mstore
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toml-f
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multicharge
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dftd4
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];
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propagatedBuildInputs = [
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tblite
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simple-dftd3
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cffi
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numpy
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];
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patches = [
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# Add multicharge to the meson deps; otherwise we get missing mod_multicharge errors
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./0001-fix-multicharge-dep-needed-for-static-compilation.patch
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];
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format = "other";
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pythonImportsCheck = [
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"tblite"
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"tblite.interface"
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];
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mesonFlags = [ "-Dpython=true" ];
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}
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