pymol: fix build

This commit is contained in:
Amadej Kastelic
2025-08-01 12:01:46 +02:00
parent 03316b4b4e
commit 6d9211aedb
+24 -2
View File
@@ -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