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pymol: modernize
Amadej Kastelic
7 months ago
b46ff3e4
6d9211ae
+12
-9
1 changed file
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by-name
py
pymol
package.nix
+12
-9
pkgs/by-name/py/pymol/package.nix
···
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# A script is already created by the `[project.scripts]` directive
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# in `pyproject.toml`.
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-
patches = [
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./script-already-exists.patch
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# Fix python3.13 and numpy 2 compatibility
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(fetchpatch {
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-
url="https://github.com/schrodinger/pymol-open-source/commit/fef4a026425d195185e84d46ab88b2bbd6d96cf8.patch";
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hash = "sha256-F/5UcYwgHgcMQ+zeigedc1rr3WkN9rhxAxH+gQfWKIY=";
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})
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(fetchpatch {
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-
url="https://github.com/schrodinger/pymol-open-source/commit/97cc1797695ee0850621762491e93dc611b04165.patch";
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hash = "sha256-H2PsRFn7brYTtLff/iMvJbZ+RZr7GYElMSINa4RDYdA=";
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})
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# Fixes failing test testLoadPWG
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(fetchpatch {
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-
url="https://github.com/schrodinger/pymol-open-source/commit/17c6cbd96d52e9692fd298daec6c9bda273a8aad.patch";
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hash = "sha256-dcYRzUhiaGlR3CjQ0BktA5L+8lFyVdw0+hIz3Li7gDQ=";
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})
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];
···
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];
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buildInputs = [
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-
python3Packages.numpy
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-
python3Packages.pyqt5
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qt5.qtbase
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glew
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glm
···
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++ lib.optionals (!stdenv.hostPlatform.isDarwin) [
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mmtf-cpp
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msgpack
0
0
0
0
0
111
];
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env.NIX_CFLAGS_COMPILE = "-I ${libxml2.dev}/include/libxml2";
···
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wrapQtApp "$out/bin/pymol"
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'';
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-
meta = with lib; {
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inherit description;
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mainProgram = "pymol";
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homepage = "https://www.pymol.org/";
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-
license = licenses.mit;
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-
maintainers = with maintainers; [
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natsukium
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samlich
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];
···
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# A script is already created by the `[project.scripts]` directive
60
# in `pyproject.toml`.
61
+
patches = [
62
./script-already-exists.patch
63
64
# Fix python3.13 and numpy 2 compatibility
65
(fetchpatch {
66
+
url = "https://github.com/schrodinger/pymol-open-source/commit/fef4a026425d195185e84d46ab88b2bbd6d96cf8.patch";
67
hash = "sha256-F/5UcYwgHgcMQ+zeigedc1rr3WkN9rhxAxH+gQfWKIY=";
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})
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(fetchpatch {
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+
url = "https://github.com/schrodinger/pymol-open-source/commit/97cc1797695ee0850621762491e93dc611b04165.patch";
71
hash = "sha256-H2PsRFn7brYTtLff/iMvJbZ+RZr7GYElMSINa4RDYdA=";
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})
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# Fixes failing test testLoadPWG
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(fetchpatch {
75
+
url = "https://github.com/schrodinger/pymol-open-source/commit/17c6cbd96d52e9692fd298daec6c9bda273a8aad.patch";
76
hash = "sha256-dcYRzUhiaGlR3CjQ0BktA5L+8lFyVdw0+hIz3Li7gDQ=";
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})
78
];
···
95
];
96
97
buildInputs = [
0
0
98
qt5.qtbase
99
glew
100
glm
···
106
++ lib.optionals (!stdenv.hostPlatform.isDarwin) [
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mmtf-cpp
108
msgpack
109
+
];
110
+
111
+
dependencies = with python3Packages; [
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+
numpy
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+
pyqt5
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];
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env.NIX_CFLAGS_COMPILE = "-I ${libxml2.dev}/include/libxml2";
···
176
wrapQtApp "$out/bin/pymol"
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'';
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+
meta = {
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inherit description;
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mainProgram = "pymol";
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homepage = "https://www.pymol.org/";
183
+
license = lib.licenses.mit;
184
+
maintainers = with lib.maintainers; [
185
natsukium
186
samlich
187
];