pymol: modernize

This commit is contained in:
Amadej Kastelic
2025-08-01 12:07:26 +02:00
parent 6d9211aedb
commit b46ff3e4a7
+12 -9
View File
@@ -58,21 +58,21 @@ python3Packages.buildPythonApplication rec {
# A script is already created by the `[project.scripts]` directive
# in `pyproject.toml`.
patches = [
patches = [
./script-already-exists.patch
# Fix python3.13 and numpy 2 compatibility
(fetchpatch {
url="https://github.com/schrodinger/pymol-open-source/commit/fef4a026425d195185e84d46ab88b2bbd6d96cf8.patch";
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";
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";
url = "https://github.com/schrodinger/pymol-open-source/commit/17c6cbd96d52e9692fd298daec6c9bda273a8aad.patch";
hash = "sha256-dcYRzUhiaGlR3CjQ0BktA5L+8lFyVdw0+hIz3Li7gDQ=";
})
];
@@ -95,8 +95,6 @@ python3Packages.buildPythonApplication rec {
];
buildInputs = [
python3Packages.numpy
python3Packages.pyqt5
qt5.qtbase
glew
glm
@@ -110,6 +108,11 @@ python3Packages.buildPythonApplication rec {
msgpack
];
dependencies = with python3Packages; [
numpy
pyqt5
];
env.NIX_CFLAGS_COMPILE = "-I ${libxml2.dev}/include/libxml2";
postInstall =
@@ -173,12 +176,12 @@ python3Packages.buildPythonApplication rec {
wrapQtApp "$out/bin/pymol"
'';
meta = with lib; {
meta = {
inherit description;
mainProgram = "pymol";
homepage = "https://www.pymol.org/";
license = licenses.mit;
maintainers = with maintainers; [
license = lib.licenses.mit;
maintainers = with lib.maintainers; [
natsukium
samlich
];