71 lines
1.1 KiB
Nix
71 lines
1.1 KiB
Nix
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{ buildPythonPackage
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, lib
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, gfortran
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, fetchgit
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, cmake
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, ninja
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, networkx
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, numpy
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, pandas
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, scipy
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, tqdm
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, joblib
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, numba
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, ase
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, scikit-build
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, dscribe
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, pyyaml
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, pytestCheckHook
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}:
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buildPythonPackage rec {
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name = "MolBar";
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version = "1.1.1";
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src = fetchgit {
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url = "https://git.rwth-aachen.de/bannwarthlab/molbar";
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rev = "release_v${version}";
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hash = "sha256-AFp2x8gil6nbZbgTZmuv+QAMImUMryyCc1by9U/ukYE=";
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};
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pyproject = true;
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nativeBuildInputs = [
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gfortran
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];
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pythonRelaxDeps = [ "networkx" ];
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build-system = [
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cmake
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scikit-build
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ninja
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];
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dependencies = [
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networkx
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numpy
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pandas
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scipy
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tqdm
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joblib
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numba
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ase
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dscribe
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pyyaml
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];
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nativeCheckInputs = [ pytestCheckHook ];
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dontUseCmakeConfigure = true;
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doCheck = false; # Doesn't find the fortran libs before installation
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meta = with lib; {
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description = "Unique molecular identifiers for molecular barcoding";
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homepage = "https://git.rwth-aachen.de/bannwarthlab/molbar";
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license = licenses.mit;
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maintainers = [ maintainers.sheepforce ];
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};
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}
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