science/py-spglib: Build using PEP517 tools instead of cmake

3 files changed, 0 insertions, 112 deletions

diff --git a/science/py-spglib/files/patch-CMakeLists.txt b/science/py-spglib/files/patch-CMakeLists.txt
deleted file mode 100644
index 7c42c23d1d4b..000000000000
--- a/science/py-spglib/files/patch-CMakeLists.txt
+++ /dev/null
@@ -1,42 +0,0 @@
---- CMakeLists.txt.orig	2024-02-11 01:27:19 UTC
-+++ CMakeLists.txt
-@@ -1,8 +1,13 @@
-+cmake_minimum_required(VERSION 3.15)
-+
-+find_package(Spglib REQUIRED)
-+find_package(Python3 COMPONENTS REQUIRED Interpreter Development.Module NumPy)
-+
- Python3_add_library(Spglib_python MODULE WITH_SOABI _spglib.c)
- set_target_properties(Spglib_python PROPERTIES
- 		OUTPUT_NAME _spglib)
- target_link_libraries(Spglib_python PRIVATE
--		Spglib_symspg Python3::NumPy)
-+		Spglib::symspg Python3::NumPy)
- if (NOT Python_INSTALL_DIR)
- 	if (SKBUILD)
- 		# If built with scikit-build-core, let it handle the installation
-@@ -12,16 +17,16 @@ endif ()
- 		set(Python_INSTALL_DIR ${Python3_SITEARCH}/spglib)
- 	endif ()
- endif ()
--if (SPGLIB_INSTALL)
-+if (TRUE)
- 	# TODO: Cmake forces to install PUBLIC_HEADER when defined
- 	# https://gitlab.kitware.com/cmake/cmake/-/issues/24326
--	install(TARGETS Spglib_symspg
--			LIBRARY DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Runtime
--			NAMELINK_COMPONENT Spglib_Development
--			ARCHIVE DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Development
--			PUBLIC_HEADER DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Development
--			RUNTIME DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Runtime
--	)
-+	#install(TARGETS Spglib_symspg
-+	#		LIBRARY DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Runtime
-+	#		NAMELINK_COMPONENT Spglib_Development
-+	#		ARCHIVE DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Development
-+	#		PUBLIC_HEADER DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Development
-+	#		RUNTIME DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Runtime
-+	#)
- 	install(TARGETS Spglib_python
- 			LIBRARY DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Runtime
- 	)
diff --git a/science/py-spglib/files/patch-spglib_spglib.py b/science/py-spglib/files/patch-spglib_spglib.py
deleted file mode 100644
index bbe9f70d0a64..000000000000
--- a/science/py-spglib/files/patch-spglib_spglib.py
+++ /dev/null
@@ -1,31 +0,0 @@
---- spglib/spglib.py.orig	2024-02-11 17:45:53 UTC
-+++ spglib/spglib.py
-@@ -46,17 +46,17 @@ except ImportError:
-     import re
-     from ctypes import cdll
- 
--    bundled_lib = next(
--        filter(
--            lambda fl: re.match(".*symspg\\..*", fl),
--            sorted(os.listdir(os.path.dirname(__file__))),
--        ),
--        None,
--    )
--    if not bundled_lib:
--        raise FileNotFoundError(
--            "Spglib C library is not installed and no bundled version was detected"
--        )
-+    #bundled_lib = next(
-+    #    filter(
-+    #        lambda fl: re.match(".*symspg\\..*", fl),
-+    #        sorted(os.listdir(os.path.dirname(__file__))),
-+    #    ),
-+    #    None,
-+    #)
-+    #if not bundled_lib:
-+    #    raise FileNotFoundError(
-+    #        "Spglib C library is not installed and no bundled version was detected"
-+    #    )
-     cdll.LoadLibrary(os.path.join(os.path.dirname(__file__), bundled_lib))
-     from spglib import _spglib as spg  # type: ignore[attr-defined]
- 
diff --git a/science/py-spglib/files/quick-test.py b/science/py-spglib/files/quick-test.py
deleted file mode 100644
index c73b1e342b42..000000000000
--- a/science/py-spglib/files/quick-test.py
+++ /dev/null
@@ -1,39 +0,0 @@
-import numpy as np
-import spglib
-
-lattice = np.array([[0.0, 0.5, 0.5],
-                    [0.5, 0.0, 0.5],
-                    [0.5, 0.5, 0.0]]) * 5.4
-positions = [[0.875, 0.875, 0.875],
-            [0.125, 0.125, 0.125]]
-numbers= [1,] * 2
-cell = (lattice, positions, numbers)
-print(spglib.get_spacegroup(cell, symprec=1e-5))
-mesh = [8, 8, 8]
-
-#
-# Gamma centre mesh
-#
-mapping, grid = spglib.get_ir_reciprocal_mesh(mesh, cell, is_shift=[0, 0, 0])
-
-# All k-points and mapping to ir-grid points
-for i, (ir_gp_id, gp) in enumerate(zip(mapping, grid)):
-    print("%3d ->%3d %s" % (i, ir_gp_id, gp.astype(float) / mesh))
-
-# Irreducible k-points
-print("Number of ir-kpoints: %d" % len(np.unique(mapping)))
-print(grid[np.unique(mapping)] / np.array(mesh, dtype=float))
-
-#
-# With shift
-#
-mapping, grid = spglib.get_ir_reciprocal_mesh(mesh, cell, is_shift=[1, 1, 1])
-
-# All k-points and mapping to ir-grid points
-for i, (ir_gp_id, gp) in enumerate(zip(mapping, grid)):
-    print("%3d ->%3d %s" % (i, ir_gp_id, (gp + [0.5, 0.5, 0.5]) / mesh))
-
-# Irreducible k-points
-print("Number of ir-kpoints: %d" % len(np.unique(mapping)))
-print((grid[np.unique(mapping)] + [0.5, 0.5, 0.5]) / mesh)
-