diff options
Diffstat (limited to 'gnu/packages/chemistry.scm')
| -rw-r--r-- | gnu/packages/chemistry.scm | 18 |
1 files changed, 11 insertions, 7 deletions
diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index 69cfed454a..4b0e719959 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -522,19 +522,23 @@ usual algorithms you expect from a modern molecular dynamics implementation.") (define-public openbabel (package (name "openbabel") - (version "2.4.1") + (version "3.1.1") (source (origin (method url-fetch) - (uri (string-append "mirror://sourceforge/" name "/" name "/" - version "/" name "-" version ".tar.gz")) + (uri (string-append "https://github.com/openbabel/openbabel/" + "releases/download/openbabel-" + (string-replace-substring version "." "-") + "/openbabel-" version "-source.tar.bz2")) (sha256 (base32 - "1z3d6xm70dpfikhwdnbzc66j2l49vq105ch041wivrfz5ic3ch90")) - (patches - (search-patches "openbabel-fix-crash-on-nwchem-output.patch")))) + "0s0f4zib8vshfaywsr5bjjz55jwsg6yiz2qw4i5jm8wysn0q7v56")))) (build-system cmake-build-system) (arguments - `(#:configure-flags + `(;; 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") |