diff options
| author | David Elsing <david.elsing@posteo.net> | 2025-07-31 22:27:45 +0200 |
|---|---|---|
| committer | Andreas Enge <andreas@enge.fr> | 2025-07-31 22:41:38 +0200 |
| commit | 99fb22110e9c7c0458d8fe992c75384112e21e07 (patch) | |
| tree | 94b7ca4c167e9c6fbfdcc48d0b8d8785594820b8 | |
| parent | 1710bb5d7c87446a4d51f1ff4dd697363adc3f1d (diff) | |
gnu: openbabel: Fix build and switch to git source.
The git source does not contain the bundled libraries.
* gnu/packages/chemistry.scm (openbabel)[source]: Switch to git-fetch.
[arguments]<#:configure-flags>: Use search-input-file and
search-input-directory.
<#:phases>: Add phase 'fix-time-check.
[inputs]: Add rapidjson.
[home-page]: Update URL.
Signed-off-by: Andreas Enge <andreas@enge.fr>
| -rw-r--r-- | gnu/packages/chemistry.scm | 59 |
1 files changed, 36 insertions, 23 deletions
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index 9e9f3bf660..d99b817244 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -578,34 +578,47 @@ usual algorithms you expect from a modern molecular dynamics implementation.") (package (name "openbabel") (version "3.1.1") - (source (origin - (method url-fetch) - (uri (string-append "https://github.com/openbabel/openbabel/" - "releases/download/openbabel-" - (string-replace-substring version "." "-") - "/openbabel-" version "-source.tar.bz2")) - (sha256 - (base32 - "0s0f4zib8vshfaywsr5bjjz55jwsg6yiz2qw4i5jm8wysn0q7v56")))) + (source + (origin + (method git-fetch) + (uri (git-reference + (url "https://github.com/openbabel/openbabel") + (commit (string-append + "openbabel-" + (string-replace-substring version "." "-"))))) + (sha256 + (base32 "1ijl4px8nw9824znrsw9nsv4qf9xy0zgd8wrw8hhl15jy1sn02n1")) + (file-name (git-file-name name version)))) (build-system cmake-build-system) (arguments - `(;; FIXME: Disable tests on i686 to work around - ;; https://github.com/openbabel/openbabel/issues/2041. - #:tests? ,(or (%current-target-system) - (not (string=? "i686-linux" (%current-system)))) - #:configure-flags - (list "-DOPENBABEL_USE_SYSTEM_INCHI=ON" - (string-append "-DINCHI_LIBRARY=" - (assoc-ref %build-inputs "inchi") - "/lib/inchi/libinchi.so.1") - (string-append "-DINCHI_INCLUDE_DIR=" - (assoc-ref %build-inputs "inchi") "/include/inchi")) - #:test-target "test")) + (list + ;; FIXME: Disable tests on i686 to work around + ;; https://github.com/openbabel/openbabel/issues/2041. + #:tests? (or (%current-target-system) + (not (string=? "i686-linux" (%current-system)))) + #:configure-flags + '(list + "-DOPENBABEL_USE_SYSTEM_INCHI=ON" + (string-append + "-DINCHI_LIBRARY=" + (search-input-file %build-inputs "/lib/inchi/libinchi.so.1")) + (string-append "-DINCHI_INCLUDE_DIR=" + (search-input-directory %build-inputs "/include/inchi"))) + #:test-target "test" + #:phases + '(modify-phases %standard-phases + ;; Fixed upstream: + ;; https://github.com/openbabel/openbabel/commit/c0570bfeb2d7e0a6a6de1f257cf28e7f3cac8739 + (add-after 'unpack 'fix-time-check + (lambda _ + (substitute* "src/config.h.cmake" + (("(#ifdef HAVE_(SYS_)?TIME)(.*)$" _ old _ suffix) + (string-append old "_H" suffix)))))))) (native-inputs (list pkg-config)) (inputs - (list eigen inchi libxml2 zlib)) - (home-page "http://openbabel.org/wiki/Main_Page") + (list eigen inchi libxml2 rapidjson zlib)) + (home-page "https://openbabel.org/") (synopsis "Chemistry data manipulation toolbox") (description "Open Babel is a chemical toolbox designed to speak the many languages of |