From unknown Fri Jun 20 18:19:21 2025 X-Loop: help-debbugs@gnu.org Subject: [bug#32151] [PATCH] gnu: Add openbabel. Resent-From: Kei Kebreau Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Sat, 14 Jul 2018 03:06:01 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: report 32151 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: 32151@debbugs.gnu.org Cc: Kei Kebreau X-Debbugs-Original-To: guix-patches@gnu.org Received: via spool by submit@debbugs.gnu.org id=B.153153754725966 (code B ref -1); Sat, 14 Jul 2018 03:06:01 +0000 Received: (at submit) by debbugs.gnu.org; 14 Jul 2018 03:05:47 +0000 Received: from localhost ([127.0.0.1]:59378 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1feAsU-0006kk-MC for submit@debbugs.gnu.org; Fri, 13 Jul 2018 23:05:46 -0400 Received: from eggs.gnu.org ([208.118.235.92]:53712) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1feAsS-0006kN-68 for submit@debbugs.gnu.org; Fri, 13 Jul 2018 23:05:45 -0400 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1feAsL-0001ft-RR for submit@debbugs.gnu.org; Fri, 13 Jul 2018 23:05:39 -0400 X-Spam-Checker-Version: SpamAssassin 3.3.2 (2011-06-06) on eggs.gnu.org X-Spam-Level: X-Spam-Status: No, score=0.8 required=5.0 tests=BAYES_50,T_DKIM_INVALID autolearn=disabled version=3.3.2 Received: from lists.gnu.org ([2001:4830:134:3::11]:45808) by eggs.gnu.org with esmtps (TLS1.0:RSA_AES_256_CBC_SHA1:32) (Exim 4.71) (envelope-from ) id 1feAsL-0001fb-OC for submit@debbugs.gnu.org; Fri, 13 Jul 2018 23:05:37 -0400 Received: from eggs.gnu.org ([2001:4830:134:3::10]:44678) by lists.gnu.org with esmtp (Exim 4.71) (envelope-from ) id 1feAsK-0003ZB-7a for guix-patches@gnu.org; Fri, 13 Jul 2018 23:05:37 -0400 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1feAsG-0001ZG-SY for guix-patches@gnu.org; Fri, 13 Jul 2018 23:05:36 -0400 Received: from mout02.posteo.de ([185.67.36.66]:52987) by eggs.gnu.org with esmtps (TLS1.0:DHE_RSA_AES_256_CBC_SHA1:32) (Exim 4.71) (envelope-from ) id 1feAsG-0001Xr-CT for guix-patches@gnu.org; Fri, 13 Jul 2018 23:05:32 -0400 Received: from submission (posteo.de [89.146.220.130]) by mout02.posteo.de (Postfix) with ESMTPS id 9D52120EA2 for ; Sat, 14 Jul 2018 05:05:29 +0200 (CEST) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=posteo.net; s=2017; t=1531537529; bh=7MqiXqarDjGH1UsyKnzu5BPZe8FnRCBeQ6K1U4Rpqyk=; h=From:To:Cc:Subject:Date:From; b=fF3pUaXlpze+IzzJCxqBp99VyBxI+uSbSZpeAdbnI3M9Me3/aflmGoRmh9336hoEn xAlrRiCjClWgg14XAUHwMAUfZVN9xG2RVCUKvXSTbifuU219IQFZVIlWjIX5Wb2r1K 481jsTB8HrBOMTMbQ52/IQT8UXbKJlYAtgdWN/3rSPb+joqIObenETxf9D1oWhijZC JtgWe/ked4xcDajuNxbmyNysZMctOZPLpZS9S+1x7wWVS/7WCdtFnxjT46FAxgcr2y 0bzHx7lP64OAqoa1LNfRQrDPGLqFYZ2rFbx8tl5Br2KRSLInCLiu50srafJH1NsLYw OxfQHTfmg98vg== Received: from customer (localhost [127.0.0.1]) by submission (posteo.de) with ESMTPSA id 41SDzD5nFszytm; Sat, 14 Jul 2018 05:04:08 +0200 (CEST) From: Kei Kebreau Date: Fri, 13 Jul 2018 23:04:06 -0400 Message-Id: <20180714030406.28139-1-kkebreau@posteo.net> X-Mailer: git-send-email 2.18.0 X-detected-operating-system: by eggs.gnu.org: GNU/Linux 2.2.x-3.x [generic] [fuzzy] X-detected-operating-system: by eggs.gnu.org: GNU/Linux 2.6.x X-Received-From: 2001:4830:134:3::11 X-Spam-Score: -4.0 (----) X-BeenThere: debbugs-submit@debbugs.gnu.org X-Mailman-Version: 2.1.18 Precedence: list List-Id: List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Errors-To: debbugs-submit-bounces@debbugs.gnu.org Sender: "Debbugs-submit" X-Spam-Score: -5.0 (-----) * gnu/packages/chemistry.scm (openbabel): New variable. --- gnu/packages/chemistry.scm | 43 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 43 insertions(+) diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index 1a5086d62..a58f936ae 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -21,10 +21,15 @@ #:use-module (guix packages) #:use-module ((guix licenses) #:prefix license:) #:use-module (guix download) + #:use-module (gnu packages algebra) #:use-module (gnu packages compression) + #:use-module (gnu packages gtk) #:use-module (gnu packages gv) #:use-module (gnu packages maths) + #:use-module (gnu packages pkg-config) #:use-module (gnu packages python) + #:use-module (gnu packages xml) + #:use-module (guix build-system cmake) #:use-module (guix build-system gnu) #:use-module (guix build-system python)) @@ -198,3 +203,41 @@ neutron scattering spectra, but also computes other quantities. The software is currently not actively maintained and works only with Python 2 and NumPy < 1.9.") (license license:cecill))) + +(define-public openbabel + (package + (name "openbabel") + (version "2.4.1") + (source (origin + (method url-fetch) + (uri (string-append "mirror://sourceforge/" name "/" name "/" + version "/" name "-" version ".tar.gz")) + (sha256 + (base32 + "1z3d6xm70dpfikhwdnbzc66j2l49vq105ch041wivrfz5ic3ch90")))) + (build-system cmake-build-system) + (arguments + `(#: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")) + (native-inputs + `(("pkg-config" ,pkg-config))) + (inputs + `(("cairo" ,cairo) + ("eigen" ,eigen) + ("inchi" ,inchi) + ("libxml2" ,libxml2) + ("zlib" ,zlib))) + (home-page "http://openbabel.org/wiki/Main_Page") + (synopsis "Chemistry data manipulation toolbox") + (description + "Open Babel is a chemical toolbox designed to speak the many languages of +chemical data. It's a collaborative project allowing anyone to search, convert, +analyze, or store data from molecular modeling, chemistry, solid-state +materials, biochemistry, or related areas.") + (license license:gpl2))) -- 2.18.0 From unknown Fri Jun 20 18:19:21 2025 X-Loop: help-debbugs@gnu.org Subject: [bug#32151] [PATCH] gnu: Add openbabel. Resent-From: ludo@gnu.org (Ludovic =?UTF-8?Q?Court=C3=A8s?=) Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Tue, 17 Jul 2018 22:23:02 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: followup 32151 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: Kei Kebreau Cc: 32151@debbugs.gnu.org Received: via spool by 32151-submit@debbugs.gnu.org id=B32151.153186613810170 (code B ref 32151); Tue, 17 Jul 2018 22:23:02 +0000 Received: (at 32151) by debbugs.gnu.org; 17 Jul 2018 22:22:18 +0000 Received: from localhost ([127.0.0.1]:45895 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1ffYMM-0002dx-8N for submit@debbugs.gnu.org; Tue, 17 Jul 2018 18:22:18 -0400 Received: from eggs.gnu.org ([208.118.235.92]:52488) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1ffYMK-0002dl-Gq for 32151@debbugs.gnu.org; Tue, 17 Jul 2018 18:22:16 -0400 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1ffYME-0001RC-LW for 32151@debbugs.gnu.org; Tue, 17 Jul 2018 18:22:11 -0400 X-Spam-Checker-Version: SpamAssassin 3.3.2 (2011-06-06) on eggs.gnu.org X-Spam-Level: X-Spam-Status: No, score=-1.9 required=5.0 tests=BAYES_00 autolearn=disabled version=3.3.2 Received: from fencepost.gnu.org ([2001:4830:134:3::e]:48147) by eggs.gnu.org with esmtp (Exim 4.71) (envelope-from ) id 1ffYME-0001R5-HJ; Tue, 17 Jul 2018 18:22:10 -0400 Received: from [2a01:e0a:1d:7270:af76:b9b:ca24:c465] (port=34214 helo=ribbon) by fencepost.gnu.org with esmtpsa (TLS1.2:RSA_AES_256_CBC_SHA1:256) (Exim 4.82) (envelope-from ) id 1ffYME-0005ac-5d; Tue, 17 Jul 2018 18:22:10 -0400 From: ludo@gnu.org (Ludovic =?UTF-8?Q?Court=C3=A8s?=) References: <20180714030406.28139-1-kkebreau@posteo.net> Date: Wed, 18 Jul 2018 00:22:09 +0200 In-Reply-To: <20180714030406.28139-1-kkebreau@posteo.net> (Kei Kebreau's message of "Fri, 13 Jul 2018 23:04:06 -0400") Message-ID: <87d0vlsdta.fsf@gnu.org> User-Agent: Gnus/5.13 (Gnus v5.13) Emacs/26.1 (gnu/linux) MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable X-detected-operating-system: by eggs.gnu.org: GNU/Linux 2.2.x-3.x [generic] X-Received-From: 2001:4830:134:3::e X-Spam-Score: -5.0 (-----) X-BeenThere: debbugs-submit@debbugs.gnu.org X-Mailman-Version: 2.1.18 Precedence: list List-Id: List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Errors-To: debbugs-submit-bounces@debbugs.gnu.org Sender: "Debbugs-submit" X-Spam-Score: -6.0 (------) Hello Kei, Kei Kebreau skribis: > * gnu/packages/chemistry.scm (openbabel): New variable. LGTM! > + (license license:gpl2))) Could you double-check whether it=E2=80=99s v2-only? Thank you, Ludo=E2=80=99. From unknown Fri Jun 20 18:19:21 2025 MIME-Version: 1.0 X-Mailer: MIME-tools 5.505 (Entity 5.505) X-Loop: help-debbugs@gnu.org From: help-debbugs@gnu.org (GNU bug Tracking System) To: Kei Kebreau Subject: bug#32151: closed (Re: [bug#32151] [PATCH] gnu: Add openbabel.) Message-ID: References: <87y3e9l5o9.fsf@posteo.net> <20180714030406.28139-1-kkebreau@posteo.net> X-Gnu-PR-Message: they-closed 32151 X-Gnu-PR-Package: guix-patches X-Gnu-PR-Keywords: patch Reply-To: 32151@debbugs.gnu.org Date: Wed, 18 Jul 2018 01:00:04 +0000 Content-Type: multipart/mixed; boundary="----------=_1531875604-22733-1" This is a multi-part message in MIME format... ------------=_1531875604-22733-1 Content-Disposition: inline Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="utf-8" Your bug report #32151: [PATCH] gnu: Add openbabel. which was filed against the guix-patches package, has been closed. The explanation is attached below, along with your original report. If you require more details, please reply to 32151@debbugs.gnu.org. --=20 32151: http://debbugs.gnu.org/cgi/bugreport.cgi?bug=3D32151 GNU Bug Tracking System Contact help-debbugs@gnu.org with problems ------------=_1531875604-22733-1 Content-Type: message/rfc822 Content-Disposition: inline Content-Transfer-Encoding: 7bit Received: (at 32151-done) by debbugs.gnu.org; 18 Jul 2018 01:00:00 +0000 Received: from localhost ([127.0.0.1]:46008 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1ffaoy-0005u8-7W for submit@debbugs.gnu.org; Tue, 17 Jul 2018 21:00:00 -0400 Received: from mout02.posteo.de ([185.67.36.66]:37115) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1ffaox-0005tu-7Q for 32151-done@debbugs.gnu.org; Tue, 17 Jul 2018 20:59:59 -0400 Received: from submission (posteo.de [89.146.220.130]) by mout02.posteo.de (Postfix) with ESMTPS id F02CF20F7A for <32151-done@debbugs.gnu.org>; Wed, 18 Jul 2018 02:59:52 +0200 (CEST) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=posteo.net; s=2017; t=1531875593; bh=nY3amjHBsDYpZHoUGXfbBvXhh+HSdDkCxtMlWMlMlP4=; h=From:To:Cc:Subject:Date:From; b=k/HJHQVyO+tAyi8CIotYg/w9rV3tlmmaU9vH6CPFfqcyZYB8hrj7n9h8ZMABmSHqP 3zuHjbPTk7rn517iyGm1MyKEeS2AGeYGkG2LlVBQ8h79H44ZbOV1gAydtTxKPCs98w JfM2ZfvUKwoP4U+WeWIV0vD+TFlPAX+I/QK1v9zJqJSt8+PfRMv7MwZlKHQYxzdPBW v7hWFckyFPs8nSfwMflWZKSM9aJnoM2NskY6uSnsDOlFSs0juUvoxnI5Kwi+96dNwL BFCNWW5tWVbhV3vazLIxvQ/081uQBUhf6tBxNbLvcUzkAKyGAO1viwwx+kRSR19OST 5l68OTOw28OQg== Received: from customer (localhost [127.0.0.1]) by submission (posteo.de) with ESMTPSA id 41Vf1z5rW6z6tm5; Wed, 18 Jul 2018 02:59:51 +0200 (CEST) From: Kei Kebreau To: ludo@gnu.org (Ludovic =?utf-8?Q?Court=C3=A8s?=) Subject: Re: [bug#32151] [PATCH] gnu: Add openbabel. References: <20180714030406.28139-1-kkebreau@posteo.net> <87d0vlsdta.fsf@gnu.org> Date: Tue, 17 Jul 2018 20:59:50 -0400 In-Reply-To: <87d0vlsdta.fsf@gnu.org> ("Ludovic \=\?utf-8\?Q\?Court\=C3\=A8s\=22'\?\= \=\?utf-8\?Q\?s\?\= message of "Wed, 18 Jul 2018 00:22:09 +0200") Message-ID: <87y3e9l5o9.fsf@posteo.net> User-Agent: Gnus/5.13 (Gnus v5.13) Emacs/26.1 (gnu/linux) MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable X-Spam-Score: -2.3 (--) X-Debbugs-Envelope-To: 32151-done Cc: 32151-done@debbugs.gnu.org X-BeenThere: debbugs-submit@debbugs.gnu.org X-Mailman-Version: 2.1.18 Precedence: list List-Id: List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Errors-To: debbugs-submit-bounces@debbugs.gnu.org Sender: "Debbugs-submit" X-Spam-Score: -3.3 (---) ludo@gnu.org (Ludovic Court=C3=A8s) writes: > Hello Kei, > > Kei Kebreau skribis: > >> * gnu/packages/chemistry.scm (openbabel): New variable. > > LGTM! > >> + (license license:gpl2))) > > Could you double-check whether it=E2=80=99s v2-only? > I just checked, and it is v2-only. > Thank you, > Ludo=E2=80=99. Thanks for the review! ------------=_1531875604-22733-1 Content-Type: message/rfc822 Content-Disposition: inline Content-Transfer-Encoding: 7bit Received: (at submit) by debbugs.gnu.org; 14 Jul 2018 03:05:47 +0000 Received: from localhost ([127.0.0.1]:59378 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1feAsU-0006kk-MC for submit@debbugs.gnu.org; Fri, 13 Jul 2018 23:05:46 -0400 Received: from eggs.gnu.org ([208.118.235.92]:53712) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1feAsS-0006kN-68 for submit@debbugs.gnu.org; Fri, 13 Jul 2018 23:05:45 -0400 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1feAsL-0001ft-RR for submit@debbugs.gnu.org; Fri, 13 Jul 2018 23:05:39 -0400 X-Spam-Checker-Version: SpamAssassin 3.3.2 (2011-06-06) on eggs.gnu.org X-Spam-Level: X-Spam-Status: No, score=0.8 required=5.0 tests=BAYES_50,T_DKIM_INVALID autolearn=disabled version=3.3.2 Received: from lists.gnu.org ([2001:4830:134:3::11]:45808) by eggs.gnu.org with esmtps (TLS1.0:RSA_AES_256_CBC_SHA1:32) (Exim 4.71) (envelope-from ) id 1feAsL-0001fb-OC for submit@debbugs.gnu.org; Fri, 13 Jul 2018 23:05:37 -0400 Received: from eggs.gnu.org ([2001:4830:134:3::10]:44678) by lists.gnu.org with esmtp (Exim 4.71) (envelope-from ) id 1feAsK-0003ZB-7a for guix-patches@gnu.org; Fri, 13 Jul 2018 23:05:37 -0400 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1feAsG-0001ZG-SY for guix-patches@gnu.org; Fri, 13 Jul 2018 23:05:36 -0400 Received: from mout02.posteo.de ([185.67.36.66]:52987) by eggs.gnu.org with esmtps (TLS1.0:DHE_RSA_AES_256_CBC_SHA1:32) (Exim 4.71) (envelope-from ) id 1feAsG-0001Xr-CT for guix-patches@gnu.org; Fri, 13 Jul 2018 23:05:32 -0400 Received: from submission (posteo.de [89.146.220.130]) by mout02.posteo.de (Postfix) with ESMTPS id 9D52120EA2 for ; Sat, 14 Jul 2018 05:05:29 +0200 (CEST) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=posteo.net; s=2017; t=1531537529; bh=7MqiXqarDjGH1UsyKnzu5BPZe8FnRCBeQ6K1U4Rpqyk=; h=From:To:Cc:Subject:Date:From; b=fF3pUaXlpze+IzzJCxqBp99VyBxI+uSbSZpeAdbnI3M9Me3/aflmGoRmh9336hoEn xAlrRiCjClWgg14XAUHwMAUfZVN9xG2RVCUKvXSTbifuU219IQFZVIlWjIX5Wb2r1K 481jsTB8HrBOMTMbQ52/IQT8UXbKJlYAtgdWN/3rSPb+joqIObenETxf9D1oWhijZC JtgWe/ked4xcDajuNxbmyNysZMctOZPLpZS9S+1x7wWVS/7WCdtFnxjT46FAxgcr2y 0bzHx7lP64OAqoa1LNfRQrDPGLqFYZ2rFbx8tl5Br2KRSLInCLiu50srafJH1NsLYw OxfQHTfmg98vg== Received: from customer (localhost [127.0.0.1]) by submission (posteo.de) with ESMTPSA id 41SDzD5nFszytm; Sat, 14 Jul 2018 05:04:08 +0200 (CEST) From: Kei Kebreau To: guix-patches@gnu.org Subject: [PATCH] gnu: Add openbabel. Date: Fri, 13 Jul 2018 23:04:06 -0400 Message-Id: <20180714030406.28139-1-kkebreau@posteo.net> X-Mailer: git-send-email 2.18.0 X-detected-operating-system: by eggs.gnu.org: GNU/Linux 2.2.x-3.x [generic] [fuzzy] X-detected-operating-system: by eggs.gnu.org: GNU/Linux 2.6.x X-Received-From: 2001:4830:134:3::11 X-Spam-Score: -4.0 (----) X-Debbugs-Envelope-To: submit Cc: Kei Kebreau X-BeenThere: debbugs-submit@debbugs.gnu.org X-Mailman-Version: 2.1.18 Precedence: list List-Id: List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Errors-To: debbugs-submit-bounces@debbugs.gnu.org Sender: "Debbugs-submit" X-Spam-Score: -5.0 (-----) * gnu/packages/chemistry.scm (openbabel): New variable. --- gnu/packages/chemistry.scm | 43 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 43 insertions(+) diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index 1a5086d62..a58f936ae 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -21,10 +21,15 @@ #:use-module (guix packages) #:use-module ((guix licenses) #:prefix license:) #:use-module (guix download) + #:use-module (gnu packages algebra) #:use-module (gnu packages compression) + #:use-module (gnu packages gtk) #:use-module (gnu packages gv) #:use-module (gnu packages maths) + #:use-module (gnu packages pkg-config) #:use-module (gnu packages python) + #:use-module (gnu packages xml) + #:use-module (guix build-system cmake) #:use-module (guix build-system gnu) #:use-module (guix build-system python)) @@ -198,3 +203,41 @@ neutron scattering spectra, but also computes other quantities. The software is currently not actively maintained and works only with Python 2 and NumPy < 1.9.") (license license:cecill))) + +(define-public openbabel + (package + (name "openbabel") + (version "2.4.1") + (source (origin + (method url-fetch) + (uri (string-append "mirror://sourceforge/" name "/" name "/" + version "/" name "-" version ".tar.gz")) + (sha256 + (base32 + "1z3d6xm70dpfikhwdnbzc66j2l49vq105ch041wivrfz5ic3ch90")))) + (build-system cmake-build-system) + (arguments + `(#: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")) + (native-inputs + `(("pkg-config" ,pkg-config))) + (inputs + `(("cairo" ,cairo) + ("eigen" ,eigen) + ("inchi" ,inchi) + ("libxml2" ,libxml2) + ("zlib" ,zlib))) + (home-page "http://openbabel.org/wiki/Main_Page") + (synopsis "Chemistry data manipulation toolbox") + (description + "Open Babel is a chemical toolbox designed to speak the many languages of +chemical data. It's a collaborative project allowing anyone to search, convert, +analyze, or store data from molecular modeling, chemistry, solid-state +materials, biochemistry, or related areas.") + (license license:gpl2))) -- 2.18.0 ------------=_1531875604-22733-1--