python3Packages.pycifrw: init at 5.0.1

Python library for reading and writing CIF files

https://github.com/jamesrhester/pycifrw

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

@@ -0,0 +1,52 @@
+{
+  lib,
+  buildPythonPackage,
+  fetchFromGitHub,
+  nix-update-script,
+  numpy,
+  ply,
+  prettytable,
+  setuptools,
+}:
+
+buildPythonPackage (finalAttrs: {
+  pname = "pycifrw";
+  version = "5.0.1";
+  pyproject = true;
+
+  __structuredAttrs = true;
+
+  src = fetchFromGitHub {
+    owner = "jamesrhester";
+    repo = "pycifrw";
+    tag = "v${finalAttrs.version}";
+    hash = "sha256-b55+Vb2H/ADl586o5ch0X4HurwsbbgDg5XS5/8QhFZM=";
+  };
+
+  preBuild = ''
+    make -C src Parsers
+  '';
+
+  build-system = [ setuptools ];
+
+  dependencies = [
+    numpy
+    prettytable
+    ply
+  ];
+
+  # Requires external dictionaries (dics/DDLm/cif_mag.dic) which are not available
+  doCheck = false;
+
+  pythonImportsCheck = [ "CifFile" ];
+
+  passthru.updateScript = nix-update-script { };
+
+  meta = {
+    description = "Python library for reading and writing CIF files";
+    homepage = "https://github.com/jamesrhester/pycifrw";
+    changelog = "https://github.com/jamesrhester/pycifrw/releases/tag/${finalAttrs.src.tag}";
+    license = lib.licenses.psfl;
+    maintainers = with lib.maintainers; [ fab ];
+  };
+})

pkgs/top-level/python-packages.nix

@@ -13742,6 +13742,8 @@ self: super: with self; {
 
   pychromecast = callPackage ../development/python-modules/pychromecast { };
 
+  pycifrw = callPackage ../development/python-modules/pycifrw { };
+
   pycketcasts = callPackage ../development/python-modules/pycketcasts { };
 
   pyclibrary = callPackage ../development/python-modules/pyclibrary { };