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66 lines
1.2 KiB
Nix
66 lines
1.2 KiB
Nix
{
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lib,
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buildPythonPackage,
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autodock-vina,
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swig,
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setuptools,
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numpy,
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}:
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let
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inherit (autodock-vina) boost;
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in
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buildPythonPackage {
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inherit (autodock-vina)
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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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format = "pyproject";
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sourceRoot = "${autodock-vina.src.name}/build/python";
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postPatch = ''
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# wildcards are not allowed
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# https://github.com/ccsb-scripps/AutoDock-Vina/issues/176
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substituteInPlace setup.py \
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--replace "python_requires='>=3.5.*'" "python_requires='>=3.5'"
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# setupPyBuildFlags are not applied with `format = "pyproject"`
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substituteInPlace setup.py \
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--replace "= locate_boost()" "= '${lib.getDev boost}/include', '${boost}/lib'"
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# this line attempts to delete the source code
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substituteInPlace setup.py \
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--replace "shutil.rmtree('src')" "..."
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# np.int is deprecated
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# https://github.com/ccsb-scripps/AutoDock-Vina/pull/167 and so on
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substituteInPlace vina/vina.py \
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--replace "np.int" "int"
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'';
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nativeBuildInputs = [
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setuptools
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swig
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];
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buildInputs = [
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boost
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];
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propagatedBuildInputs = [
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numpy
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];
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# upstream has no tests
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doCheck = false;
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pythonImportsCheck = [
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"vina"
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];
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}
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