python312Packages.meeko: fix build

This commit is contained in:
Tom Hunze
2025-05-02 11:01:38 +02:00
parent bba3654978
commit 24694bfb5b
@@ -2,7 +2,7 @@
lib,
buildPythonPackage,
fetchFromGitHub,
fetchpatch,
gemmi,
numpy,
pytestCheckHook,
pythonOlder,
@@ -24,22 +24,9 @@ buildPythonPackage rec {
hash = "sha256-ViIBiczwxTwraYn8UnFAZFCFT28v3WEYm04W2YpU/4g=";
};
patches = [
# https://github.com/forlilab/Meeko/issues/60
(fetchpatch {
name = "fix-unknown-sidechains.patch";
url = "https://github.com/forlilab/Meeko/commit/28c9fbfe3b778aa1bd5e8d7e4f3e6edf44633a0c.patch";
hash = "sha256-EJbLnbKTTOsTxKtLiU7Af07yjfY63ungGUHbGvrm0AU=";
})
(fetchpatch {
name = "add-test-data.patch";
url = "https://github.com/forlilab/Meeko/commit/57b52e3afffb82685cdd1ef1bf6820d55924b97a.patch";
hash = "sha256-nLnyIjT68iaY3lAEbH9EJ5jZflhxABBwDqw8kaRKf3k=";
})
];
propagatedBuildInputs = [
# setup.py only requires numpy but others are needed at runtime
gemmi
numpy
rdkit
scipy