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-rw-r--r--science/py-spglib/Makefile16
-rw-r--r--science/py-spglib/files/patch-CMakeLists.txt42
-rw-r--r--science/py-spglib/files/patch-spglib_spglib.py31
-rw-r--r--science/py-spglib/files/quick-test.py39
-rw-r--r--science/py-spglib/pkg-plist3
5 files changed, 6 insertions, 125 deletions
diff --git a/science/py-spglib/Makefile b/science/py-spglib/Makefile
index b9208a124902..044f6101b4ed 100644
--- a/science/py-spglib/Makefile
+++ b/science/py-spglib/Makefile
@@ -1,6 +1,7 @@
PORTNAME= spglib
DISTVERSIONPREFIX= v
DISTVERSION= 2.3.1
+PORTREVISION= 1
CATEGORIES= science python
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
@@ -12,18 +13,17 @@ LICENSE= BSD3CLAUSE
BUILD_DEPENDS= ${PYTHON_PKGNAMEPREFIX}setuptools_scm>0:devel/py-setuptools_scm@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}scikit-build-core>0:devel/py-scikit-build-core@${PY_FLAVOR} \
+ ${PYTHON_PKGNAMEPREFIX}pyproject-metadata>0:devel/py-pyproject-metadata@${PY_FLAVOR} \
+ cmake:devel/cmake-core \
${PYNUMPY}
-LIB_DEPENDS= libsymspg.so:science/spglib
RUN_DEPENDS= ${PYNUMPY}
-USES= cmake python
-USE_PYTHON= flavors pytest # tests fail to run, see https://github.com/spglib/spglib/issues/192
+USES= python
+USE_PYTHON= pep517 autoplist pytest # tests fail to run, see https://github.com/spglib/spglib/issues/192
USE_GITHUB= yes
CMAKE_ARGS= -DPython3_EXECUTABLE=${PYTHON_CMD}
-WRKSRC_SUBDIR= python
-
MAKE_ENV= SETUPTOOLS_SCM_PRETEND_VERSION=${DISTVERSION}
TEST_WRKSRC= ${WRKSRC}
@@ -33,10 +33,6 @@ post-patch:
##@cd ${WRKSRC} && ${RLN} ../test .
#@cd ${WRKSRC} && ${CP} -r ../test .
# workaround for https://github.com/spglib/spglib/issues/429
- @${REINPLACE_CMD} -i '' -e 's|^from ._version import|#&|' ${WRKSRC}/spglib/__init__.py
- # patch in the correct symspg lib
- @${REINPLACE_CMD} -i '' \
- -e 's|, bundled_lib)|, "${LOCALBASE}/lib/libsymspg.so")|' \
- ${WRKSRC}/spglib/spglib.py
+ @${REINPLACE_CMD} -i '' -e 's|^from ._version import|#&|' ${WRKSRC}/python/spglib/__init__.py
.include <bsd.port.mk>
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)
-
diff --git a/science/py-spglib/pkg-plist b/science/py-spglib/pkg-plist
deleted file mode 100644
index 55a2e8a2dc92..000000000000
--- a/science/py-spglib/pkg-plist
+++ /dev/null
@@ -1,3 +0,0 @@
-%%PYTHON_SITELIBDIR%%/spglib/__init__.py
-%%PYTHON_SITELIBDIR%%/spglib/_spglib%%PYTHON_EXT_SUFFIX%%.so
-%%PYTHON_SITELIBDIR%%/spglib/spglib.py
generated by cgit v1.2.3 (git 2.25.1) at 2025-09-05 21:06:53 +0000