Merge pull request #260450 from natsukium/modelcif/init

python311Packages.modelcif: init at 0.9; python311Packages.ihm: init at 0.41

pkgs/development/python-modules/ihm/default.nix

@@ -0,0 +1,51 @@
+{ lib
+, buildPythonPackage
+, fetchFromGitHub
+, setuptools
+, swig
+, wheel
+, msgpack
+, pytestCheckHook
+}:
+
+buildPythonPackage rec {
+  pname = "ihm";
+  version = "0.41";
+  pyproject = true;
+
+  src = fetchFromGitHub {
+    owner = "ihmwg";
+    repo = "python-ihm";
+    rev = "refs/tags/${version}";
+    hash = "sha256-weeOizVWFcOxD45QsvEaoknTofZjglCvidyvXpyRKwc=";
+  };
+
+  nativeBuildInputs = [
+    setuptools
+    swig
+    wheel
+  ];
+
+  propagatedBuildInputs = [
+    msgpack
+  ];
+
+  nativeCheckInputs = [
+    pytestCheckHook
+  ];
+
+  disabledTests = [
+    # requires network access
+    "test_validator_example"
+  ];
+
+  pythonImportsCheck = [ "ihm" ];
+
+  meta = with lib; {
+    description = "Python package for handling IHM mmCIF and BinaryCIF files";
+    homepage = "https://github.com/ihmwg/python-ihm";
+    changelog = "https://github.com/ihmwg/python-ihm/blob/${src.rev}/ChangeLog.rst";
+    license = licenses.mit;
+    maintainers = with maintainers; [ natsukium ];
+  };
+}

pkgs/development/python-modules/modelcif/default.nix

@@ -0,0 +1,50 @@
+{ lib
+, buildPythonPackage
+, fetchFromGitHub
+, setuptools
+, wheel
+, ihm
+, pytestCheckHook
+}:
+
+buildPythonPackage rec {
+  pname = "modelcif";
+  version = "0.9";
+  pyproject = true;
+
+  src = fetchFromGitHub {
+    owner = "ihmwg";
+    repo = "python-modelcif";
+    rev = "refs/tags/${version}";
+    hash = "sha256-u+e2QtG6gO1e31OzPfAuzfCkwZymEZMxa2p0haYplAk=";
+  };
+
+  nativeBuildInputs = [
+    setuptools
+    wheel
+  ];
+
+  propagatedBuildInputs = [
+    ihm
+  ];
+
+  nativeCheckInputs = [
+    pytestCheckHook
+  ];
+
+  disabledTests = [
+    # require network access
+    "test_validate_mmcif_example"
+    "test_validate_modbase_example"
+  ];
+
+  pythonImportsCheck = [ "modelcif" ];
+
+  meta = with lib; {
+    description = "Python package for handling ModelCIF mmCIF and BinaryCIF files";
+    homepage = "https://github.com/ihmwg/python-modelcif";
+    changelog = "https://github.com/ihmwg/python-modelcif/blob/${src.rev}/ChangeLog.rst";
+    license = licenses.mit;
+    maintainers = with maintainers; [ natsukium ];
+  };
+}

pkgs/top-level/python-packages.nix

@@ -5214,6 +5214,8 @@ self: super: with self; {
     inherit (pkgs) igraph;
   };
 
+  ihm = callPackage ../development/python-modules/ihm { };
+
   iisignature = callPackage ../development/python-modules/iisignature { };
 
   ijson = callPackage ../development/python-modules/ijson { };
@@ -6894,6 +6896,8 @@ self: super: with self; {
 
   model-bakery = callPackage ../development/python-modules/model-bakery { };
 
+  modelcif = callPackage ../development/python-modules/modelcif { };
+
   modeled = callPackage ../development/python-modules/modeled { };
 
   moderngl = callPackage ../development/python-modules/moderngl { };