1
0
mirror of https://git.savannah.gnu.org/git/guix.git synced 2026-04-06 21:20:33 +02:00

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>
This commit is contained in:
David Elsing
2025-07-31 22:27:45 +02:00
committed by Andreas Enge
parent 1710bb5d7c
commit 99fb22110e

View File

@@ -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