diff options
Diffstat (limited to 'nixpkgs/pkgs/applications/science/chemistry/autodock-vina/python-bindings.nix')
-rw-r--r-- | nixpkgs/pkgs/applications/science/chemistry/autodock-vina/python-bindings.nix | 56 |
1 files changed, 56 insertions, 0 deletions
diff --git a/nixpkgs/pkgs/applications/science/chemistry/autodock-vina/python-bindings.nix b/nixpkgs/pkgs/applications/science/chemistry/autodock-vina/python-bindings.nix new file mode 100644 index 000000000000..fb7fd1ece0e6 --- /dev/null +++ b/nixpkgs/pkgs/applications/science/chemistry/autodock-vina/python-bindings.nix @@ -0,0 +1,56 @@ +{ 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" + ]; +} |