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