From 981670f190d41098133861ec6ee87cc8eb79d877 Mon Sep 17 00:00:00 2001
From: Fabian Affolter <mail@fabian-affolter.ch>
Date: Thu, 11 Jun 2026 09:46:42 +0200
Subject: [PATCH] python3Packages.pycifrw: init at 5.0.1

Python library for reading and writing CIF files

https://github.com/jamesrhester/pycifrw
---
 .../python-modules/pycifrw/default.nix        | 52 +++++++++++++++++++
 pkgs/top-level/python-packages.nix            |  2 +
 2 files changed, 54 insertions(+)
 create mode 100644 pkgs/development/python-modules/pycifrw/default.nix

diff --git a/pkgs/development/python-modules/pycifrw/default.nix b/pkgs/development/python-modules/pycifrw/default.nix
new file mode 100644
index 000000000000..8ff36cd7486f
--- /dev/null
+++ b/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 ];
+  };
+})
diff --git a/pkgs/top-level/python-packages.nix b/pkgs/top-level/python-packages.nix
index e82b1fc240a6..0a2d66e29eb9 100644
--- a/pkgs/top-level/python-packages.nix
+++ b/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 { };