Py315 winfix

recipe/0001-new-conda-python-Windows-layout.patch

@@ -0,0 +1,47 @@
+From 92fd45aaa3a15b1ccd21783e6ce8610cd0e94892 Mon Sep 17 00:00:00 2001
+From: "Lori A. Burns" <lori.burns@gmail.com>
+Date: Sun, 11 Oct 2026 19:15:20 -0400
+Subject: [PATCH 1/1] new conda python Windows layout
+
+---
+ python/dftd3/parameters.py | 17 ++++++++++++++++-
+ 1 file changed, 16 insertions(+), 1 deletion(-)
+
+diff --git a/python/dftd3/parameters.py b/python/dftd3/parameters.py
+index 479016d..3f252a9 100644
+--- a/python/dftd3/parameters.py
++++ b/python/dftd3/parameters.py
+@@ -54,6 +54,7 @@ def get_data_file_name(base_name: str = "parameters.toml") -> str:
+     )
+     if not exists(data_file):
+         # for Windows install layout
++        # * conda py<315 at Lib/site-packages/dftd3/parameters.py
+         data_file = join(
+             dirname(__file__),
+             "..",
+@@ -65,7 +66,21 @@ def get_data_file_name(base_name: str = "parameters.toml") -> str:
+             base_name,
+         )
+         if not exists(data_file):
+-            data_file = join(dirname(__file__), base_name)
++            # for Windows install layout
++            # * conda py>=315 at lib/python/site-packages/dftd3/parameters.py
++            data_file = join(
++                dirname(__file__),
++                "..",
++                "..",
++                "..",
++                "..",
++                "Library",
++                "share",
++                "s-dftd3",
++                base_name,
++            )
++            if not exists(data_file):
++                data_file = join(dirname(__file__), base_name)
+
+     return data_file
+
+-- 
+2.40.1
+

recipe/meta.yaml

@@ -8,9 +8,11 @@ package:
 source:
   url: https://github.com/dftd3/simple-dftd3/archive/refs/tags/v{{ version }}.tar.gz
   sha256: 534919ebc44bb59de323513f41d1c1fba5f457008323d2e67087351a76c8fd9f
+  patches:
+    - 0001-new-conda-python-Windows-layout.patch
 
 build:
-  number: 1
+  number: 2
 
 requirements:
   build:
@@ -48,13 +50,15 @@ test:
     - dftd3.interface
     - dftd3.parameters
     - dftd3.ase
-    - dftd3.qcschema  # [py<313]
+    - dftd3.qcschema
   requires:
     - pytest
     - setuptools
-    - qcelemental  # [py<313]
+    - qcelemental
     - ase
     - tomli
+  commands:
+    - python -c "from dftd3.parameters import get_all_damping_params as f; p=f(); print(len(p), 'e.g.', sorted(p)[:3])"
 
 about:
   home: https://github.com/awvwgk/simple-dftd3/tree/main/python