diff --git a/pkgs/by-name/py/pymol/package.nix b/pkgs/by-name/py/pymol/package.nix index 5da3d7ded804..057016017578 100644 --- a/pkgs/by-name/py/pymol/package.nix +++ b/pkgs/by-name/py/pymol/package.nix @@ -2,6 +2,7 @@ stdenv, lib, fetchFromGitHub, + fetchpatch, makeDesktopItem, cmake, python3Packages, @@ -57,11 +58,31 @@ python3Packages.buildPythonApplication rec { # A script is already created by the `[project.scripts]` directive # in `pyproject.toml`. - patches = [ ./script-already-exists.patch ]; + patches = [ + ./script-already-exists.patch + + # Fix python3.13 and numpy 2 compatibility + (fetchpatch { + url="https://github.com/schrodinger/pymol-open-source/commit/fef4a026425d195185e84d46ab88b2bbd6d96cf8.patch"; + hash = "sha256-F/5UcYwgHgcMQ+zeigedc1rr3WkN9rhxAxH+gQfWKIY="; + }) + (fetchpatch { + url="https://github.com/schrodinger/pymol-open-source/commit/97cc1797695ee0850621762491e93dc611b04165.patch"; + hash = "sha256-H2PsRFn7brYTtLff/iMvJbZ+RZr7GYElMSINa4RDYdA="; + }) + # Fixes failing test testLoadPWG + (fetchpatch { + url="https://github.com/schrodinger/pymol-open-source/commit/17c6cbd96d52e9692fd298daec6c9bda273a8aad.patch"; + hash = "sha256-dcYRzUhiaGlR3CjQ0BktA5L+8lFyVdw0+hIz3Li7gDQ="; + }) + ]; postPatch = '' substituteInPlace setup.py \ --replace-fail "self.install_libbase" '"${placeholder "out"}/${python3Packages.python.sitePackages}"' + + substituteInPlace pyproject.toml \ + --replace-fail '"cmake>=3.13.3",' "" ''; env.PREFIX_PATH = lib.optionalString (!stdenv.hostPlatform.isDarwin) "${msgpack}"; @@ -74,7 +95,7 @@ python3Packages.buildPythonApplication rec { ]; buildInputs = [ - python3Packages.numpy_1 + python3Packages.numpy python3Packages.pyqt5 qt5.qtbase glew @@ -115,6 +136,7 @@ python3Packages.buildPythonApplication rec { python3Packages.msgpack pillow pytestCheckHook + requests ]; # some tests hang for some reason