commit: 2c97b5f0ceb2ada240f70e6852a4747c020b9683 Author: Nicolas PARLANT <nicolas.parlant <AT> parhuet <DOT> fr> AuthorDate: Tue Mar 11 15:32:33 2025 +0000 Commit: Sam James <sam <AT> gentoo <DOT> org> CommitDate: Mon Mar 24 05:33:37 2025 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=2c97b5f0
sci-libs/spglib: add 2.6.0 port to cmake use official gh repo, with which the current one does not diverge subslot : 0/2 iuse : add openmp, fortran, python test : enabled Closes: https://bugs.gentoo.org/937609 Signed-off-by: Nicolas PARLANT <nicolas.parlant <AT> parhuet.fr> Closes: https://github.com/gentoo/gentoo/pull/41042 Signed-off-by: Sam James <sam <AT> gentoo.org> sci-libs/spglib/Manifest | 1 + .../spglib/files/spglib-2.6.0-dist_sources.patch | 48 ++++++++++ sci-libs/spglib/files/spglib-2.6.0-pyproject.patch | 29 ++++++ sci-libs/spglib/metadata.xml | 4 + sci-libs/spglib/spglib-2.6.0.ebuild | 100 +++++++++++++++++++++ 5 files changed, 182 insertions(+) diff --git a/sci-libs/spglib/Manifest b/sci-libs/spglib/Manifest index f948d5c7059b..2d149c08003e 100644 --- a/sci-libs/spglib/Manifest +++ b/sci-libs/spglib/Manifest @@ -1 +1,2 @@ DIST spglib-1.14.1.tar.gz 1994323 BLAKE2B 69c16d4b1b7f23b652247df01f88d88917083bf4394e4a5e2e6636b49950ae3e06e395d117ba92ed4fc7c4295f61bab53cda25c2b7b3b7073bc888719ac2dee1 SHA512 77f65af957b1cc956bbd7ab555b5d62297b13228187c54cc4f6e48efba84b0fd60e57f79a4cf22a160a550ca0a19c5d71de0219fccd0b370d2ce413d41a5cfb0 +DIST spglib-2.6.0.tar.gz 2438640 BLAKE2B 99befe83edf51fbffdb815315e89e5bc9a882298e08ca79631ce2fbb17d302be529b6f4f326d60ee07bef330b8f217aa0111acaa1ec8f0562f2fb12be498db24 SHA512 a70a318dcfb0cfffca1d68605ec3afea6c5ff18ada6a4a1c0ea1c09f23ab8585d093aaf322939bc83cff28e8bb3b1b42ec65edce9208e4f69288504326e4cf2f diff --git a/sci-libs/spglib/files/spglib-2.6.0-dist_sources.patch b/sci-libs/spglib/files/spglib-2.6.0-dist_sources.patch new file mode 100644 index 000000000000..4b628ba2fae7 --- /dev/null +++ b/sci-libs/spglib/files/spglib-2.6.0-dist_sources.patch @@ -0,0 +1,48 @@ +Always use sources instead of a hypothetical installed package. +diff '--color=auto' -uNr a/fortran/CMakeLists.txt b/fortran/CMakeLists.txt +--- a/fortran/CMakeLists.txt 2025-03-12 19:45:47.109635926 -0000 ++++ b/fortran/CMakeLists.txt 2025-03-12 19:46:51.964594152 -0000 +@@ -77,11 +77,8 @@ + + # Get Spglib if it's run as stand-alone project + if (NOT TARGET Spglib::symspg) +- find_package(Spglib CONFIG) +- if (NOT Spglib_FOUND) + message(STATUS "Using bundled spglib sources") + add_subdirectory(${PROJECT_SOURCE_DIR}/.. _deps/spglib-build) +- endif () + endif () + + #[=============================================================================[ +diff '--color=auto' -uNr a/python/CMakeLists.txt b/python/CMakeLists.txt +--- a/python/CMakeLists.txt 2025-03-12 19:45:47.113635861 -0000 ++++ b/python/CMakeLists.txt 2025-03-12 19:47:13.720244693 -0000 +@@ -47,11 +47,8 @@ + + # Get Spglib if it's run as stand-alone project + if (NOT TARGET Spglib::symspg) +- find_package(Spglib CONFIG) +- if (NOT Spglib_FOUND) + message(STATUS "Using bundled spglib sources") + add_subdirectory(${PROJECT_SOURCE_DIR}/.. _deps/spglib-build) +- endif () + endif () + + #[=============================================================================[ +diff '--color=auto' -uNr a/test/CMakeLists.txt b/test/CMakeLists.txt +--- a/test/CMakeLists.txt 2025-03-12 19:45:47.113635861 -0000 ++++ b/test/CMakeLists.txt 2025-03-12 19:47:43.499766319 -0000 +@@ -75,13 +75,11 @@ + + # Get Spglib if it's run as stand-alone project + if (NOT TARGET Spglib::symspg) +- set(spglib_find_package_args) + if (SPGLIB_WITH_Fortran) + list(APPEND + COMPONENTS Fortran + ) + endif () +- find_package(Spglib REQUIRED CONFIG ${spglib_find_package_args}) + endif () + + set(BUILD_GMOCK OFF) diff --git a/sci-libs/spglib/files/spglib-2.6.0-pyproject.patch b/sci-libs/spglib/files/spglib-2.6.0-pyproject.patch new file mode 100644 index 000000000000..523d55c3baa5 --- /dev/null +++ b/sci-libs/spglib/files/spglib-2.6.0-pyproject.patch @@ -0,0 +1,29 @@ +Invalid type for license +Prevent variables relevant only for a standalone python-pkg +--- a/pyproject.toml ++++ b/pyproject.toml +@@ -8,7 +8,6 @@ + name = "spglib" + requires-python = ">=3.9" + description = "This is the spglib module." +-license = "BSD-3-Clause" + license-files = ["COPYING"] + readme = "python/README.rst" + dynamic = ["version"] +@@ -89,16 +88,6 @@ + metadata.version.provider = "scikit_build_core.metadata.setuptools_scm" + sdist.include = ["python/spglib/_version.py"] + +-[tool.scikit-build.cmake.define] +-SPGLIB_WITH_Python = "ON" +-SPGLIB_WITH_TESTS = "OFF" +-SPGLIB_USE_OMP = "OFF" +- +-[[tool.scikit-build.overrides]] +-if.env.CIBUILDWHEEL = true +-# Make sure cibuildwheel builds with a bundled spglib +-cmake.define.CMAKE_DISABLE_FIND_PACKAGE_Spglib = "ON" +- + [tool.setuptools_scm] + write_to = "python/spglib/_version.py" + diff --git a/sci-libs/spglib/metadata.xml b/sci-libs/spglib/metadata.xml index d4ff1000a775..9363fa8ccdbe 100644 --- a/sci-libs/spglib/metadata.xml +++ b/sci-libs/spglib/metadata.xml @@ -5,4 +5,8 @@ <email>sci-chemis...@gentoo.org</email> <name>Gentoo Chemistry Project</name> </maintainer> + <upstream> + <remote-id type="github">atztogo/spglib</remote-id><!-- old --> + <remote-id type="github">spglib/spglib</remote-id> + </upstream> </pkgmetadata> diff --git a/sci-libs/spglib/spglib-2.6.0.ebuild b/sci-libs/spglib/spglib-2.6.0.ebuild new file mode 100644 index 000000000000..41e008c55e7d --- /dev/null +++ b/sci-libs/spglib/spglib-2.6.0.ebuild @@ -0,0 +1,100 @@ +# Copyright 1999-2025 Gentoo Authors +# Distributed under the terms of the GNU General Public License v2 + +EAPI=8 + +DISTUTILS_EXT=1 +DISTUTILS_OPTIONAL=1 +DISTUTILS_SINGLE_IMPL=1 +DISTUTILS_USE_PEP517=scikit-build-core +PYTHON_COMPAT=( python3_{10..13} ) +FORTRAN_NEEDED=fortran +inherit cmake distutils-r1 fortran-2 toolchain-funcs + +DESCRIPTION="Spglib is a C library for finding and handling crystal symmetries" +HOMEPAGE="https://github.com/spglib/spglib/"; +SRC_URI="https://github.com/spglib/spglib/archive/v${PV}.tar.gz -> ${P}.tar.gz" + +LICENSE="BSD" +SLOT="0/2" +KEYWORDS="~amd64 ~x86" +IUSE="fortran openmp python test" +REQUIRED_USE="python? ( ${PYTHON_REQUIRED_USE} )" +RESTRICT="!test? ( test )" + +RDEPEND=" + python? ( + ${PYTHON_DEPS} + $(python_gen_cond_dep ' + dev-python/numpy[${PYTHON_USEDEP}] + dev-python/ruamel-yaml[${PYTHON_USEDEP}] + ') + $(python_gen_cond_dep ' + dev-python/typing-extensions[${PYTHON_USEDEP}] + ' 3.10 3.11 3.12) + ) +" +DEPEND="${RDEPEND}" +BDEPEND=" + python? ( + ${DISTUTILS_DEPS} + ${PYTHON_DEPS} + test? ( $(python_gen_cond_dep 'dev-python/pyyaml[${PYTHON_USEDEP}]') ) + ) + test? ( dev-cpp/gtest ) +" + +PATCHES=( + "${FILESDIR}"/${PN}-2.6.0-pyproject.patch + "${FILESDIR}"/${PN}-2.6.0-dist_sources.patch +) + +distutils_enable_tests pytest + +pkg_pretend() { + [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp +} + +pkg_setup() { + [[ ${MERGE_TYPE} != binary ]] && use openmp && tc-check-openmp + use fortran && fortran-2_pkg_setup + use python && python-single-r1_pkg_setup +} + +src_prepare() { + cmake_src_prepare + use python && distutils-r1_src_prepare +} + +src_configure() { + local mycmakeargs=( + -DCMAKE_SKIP_RPATH=ON + -DSPGLIB_SHARED_LIBS=ON + -DSPGLIB_USE_OMP="$(usex openmp)" + -DSPGLIB_WITH_Fortran="$(usex fortran)" + -DSPGLIB_WITH_Python="$(usex python)" + -DSPGLIB_WITH_TESTS="$(usex test)" + ) + cmake_src_configure +} + +src_compile() { + cmake_src_compile + use python && distutils-r1_src_compile +} + +src_test() { + local -x LD_LIBRARY_PATH="${BUILD_DIR}" + cmake_src_test + use python && distutils-r1_src_test +} + +src_install() { + cmake_src_install + if use python; then + distutils-r1_src_install + + # remove duplicate headers/lib + rm -r "${ED}"/$(python_get_sitedir)/spglib/{$(get_libdir),include} || die + fi +}
