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From 2a366ea2a876dff391fad94fb9a7ca34b0b92850 Mon Sep 17 00:00:00 2001 Message-ID: <2a366ea2a876dff391fad94fb9a7ca34b0b92850.1744737318.git.jakob.kirsch@web.de> From: Jakob Kirsch Date: Fri, 11 Apr 2025 15:33:14 +0200 Subject: [PATCH 1/3] gnu: spglib: Update to 2.5.0. * gnu/packages/chemistry.scm (spglib): Update to 2.5.0. Change-Id: Ia05bb8e2f012fcf4c576db8a6e5d2f8b153493ff --- gnu/packages/chemistry.scm | 52 +++++++++++++++++++++++++------------- 1 file changed, 34 insertions(+), 18 deletions(-) base-commit: 12a6dd40a7b88454cc8a8c930c22681fcee5b1ea diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index d05792c56d..4e186e017c 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -477,7 +477,7 @@ (define-public openbabel (define-public spglib (package (name "spglib") - (version "1.16.0") + (version "2.5.0") (source (origin (method git-fetch) @@ -485,26 +485,42 @@ (define-public spglib (url "https://github.com/spglib/spglib") (commit (string-append "v" version)))) (sha256 - (base32 "1kzc956m1pnazhz52vspqridlw72wd8x5l3dsilpdxl491aa2nws")) + (base32 "0x5igrqwx7r2shysmi9sqcjg4hpb7hba3ddlwg05z6c57a3ifbqc")) (file-name (git-file-name name version)))) (build-system cmake-build-system) (arguments - '(#:test-target "check" - #:phases - (modify-phases %standard-phases - (add-after 'unpack 'patch-header-install-dir - (lambda _ - ;; As of the writing of this package, CMake and GNU build systems - ;; install the header to two different location. This patch makes - ;; the CMake build system's choice of header directory compatible - ;; with the GNU build system's choice and with what avogadrolibs - ;; expects. - ;; See https://github.com/spglib/spglib/issues/75 and the relevant - ;; part of https://github.com/OpenChemistry/avogadroapp/issues/97. - (substitute* "CMakeLists.txt" - (("\\$\\{CMAKE_INSTALL_INCLUDEDIR\\}" include-dir) - (string-append include-dir "/spglib"))) - #t))))) + '(#:tests? #f ; tests want to clone a git repository, which won't work + #:configure-flags '("-DSPGLIB_WITH_TESTS=OFF") + #:phases (modify-phases %standard-phases + (add-before 'configure 'patch-files (lambda _ (substitute* "CMakeLists.txt" + (("include\\(cmake/DynamicVersion.cmake\\)") + "") + (("dynamic_version.*") + "") + (("PROJECT_PREFIX.*") + "") + (("FALLBACK_VERSION.*") + "set (PROJECT_VERSION 2.5.0") + (("\\$\\{PROJECT_VERSION_FULL\\}") + "2.5.0") + (("\\$\\{GIT_COMMIT\\}") + "\"\"")) + (substitute* "src/CMakeLists.txt" + ((".*Spglib_GitHash.*") + "")))) + (add-after 'unpack 'patch-header-install-dir + (lambda _ + ;; As of the writing of this package, CMake and GNU build systems + ;; install the header to two different location. This patch makes + ;; the CMake build system's choice of header directory compatible + ;; with the GNU build system's choice and with what avogadrolibs + ;; expects. + ;; See https://github.com/spglib/spglib/issues/75 and the relevant + ;; part of https://github.com/OpenChemistry/avogadroapp/issues/97. + (substitute* "CMakeLists.txt" + (("\\$\\{CMAKE_INSTALL_INCLUDEDIR\\}" include-dir) + (string-append include-dir "/spglib"))) + #t))))) (home-page "https://spglib.github.io/spglib/index.html") (synopsis "Library for crystal symmetry search") (description "Spglib is a library for finding and handling crystal