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{
buildPythonPackage,
lib,
gfortran,
fetchgit,
cmake,
ninja,
networkx,
numpy,
pandas,
scipy,
tqdm,
joblib,
numba,
ase,
scikit-build,
dscribe,
pyyaml,
pytestCheckHook,
}:
buildPythonPackage rec {
pname = "MolBar";
version = "1.1.3";
src = fetchgit {
url = "https://git.rwth-aachen.de/bannwarthlab/molbar";
rev = "release_v${version}";
hash = "sha256-wHvsj1/BJpfbSKEB7Fk8PkH6laN/VMKoluZo+4bprlo=";
};
pyproject = true;
nativeBuildInputs = [
gfortran
];
pythonRelaxDeps = [ "networkx" ];
build-system = [
cmake
scikit-build
ninja
];
dependencies = [
networkx
numpy
pandas
scipy
tqdm
joblib
numba
ase
dscribe
pyyaml
];
nativeCheckInputs = [ pytestCheckHook ];
dontUseCmakeConfigure = true;
doCheck = false; # Doesn't find the fortran libs before installation
meta = {
description = "Unique molecular identifiers for molecular barcoding";
homepage = "https://git.rwth-aachen.de/bannwarthlab/molbar";
license = lib.licenses.mit;
maintainers = [ lib.maintainers.sheepforce ];
};
}
|
