From unknown Tue Jun 24 22:40:03 2025 X-Loop: help-debbugs@gnu.org Subject: [bug#32138] [PATCH] gnu: Add inchi. Resent-From: Kei Kebreau Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Fri, 13 Jul 2018 13:40:03 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: report 32138 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: 32138@debbugs.gnu.org Cc: Kei Kebreau X-Debbugs-Original-To: guix-patches@gnu.org Received: via spool by submit@debbugs.gnu.org id=B.153148920116407 (code B ref -1); Fri, 13 Jul 2018 13:40:03 +0000 Received: (at submit) by debbugs.gnu.org; 13 Jul 2018 13:40:01 +0000 Received: from localhost ([127.0.0.1]:57817 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1fdyIj-0004GY-Da for submit@debbugs.gnu.org; Fri, 13 Jul 2018 09:40:01 -0400 Received: from eggs.gnu.org ([208.118.235.92]:58824) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1fdyIh-0004GJ-JY for submit@debbugs.gnu.org; Fri, 13 Jul 2018 09:40:00 -0400 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1fdyIb-0006xd-Lp for submit@debbugs.gnu.org; Fri, 13 Jul 2018 09:39:54 -0400 X-Spam-Checker-Version: SpamAssassin 3.3.2 (2011-06-06) on eggs.gnu.org X-Spam-Level: X-Spam-Status: No, score=-0.5 required=5.0 tests=BAYES_05,T_DKIM_INVALID autolearn=disabled version=3.3.2 Received: from lists.gnu.org ([2001:4830:134:3::11]:33431) by eggs.gnu.org with esmtps (TLS1.0:RSA_AES_256_CBC_SHA1:32) (Exim 4.71) (envelope-from ) id 1fdyIb-0006xT-HV for submit@debbugs.gnu.org; Fri, 13 Jul 2018 09:39:53 -0400 Received: from eggs.gnu.org ([2001:4830:134:3::10]:49772) by lists.gnu.org with esmtp (Exim 4.71) (envelope-from ) id 1fdyIa-0002ai-EZ for guix-patches@gnu.org; Fri, 13 Jul 2018 09:39:53 -0400 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1fdyIX-0006t6-Bd for guix-patches@gnu.org; Fri, 13 Jul 2018 09:39:52 -0400 Received: from mout01.posteo.de ([185.67.36.65]:57611) by eggs.gnu.org with esmtps (TLS1.0:DHE_RSA_AES_256_CBC_SHA1:32) (Exim 4.71) (envelope-from ) id 1fdyIW-0006nt-T8 for guix-patches@gnu.org; Fri, 13 Jul 2018 09:39:49 -0400 Received: from submission (posteo.de [89.146.220.130]) by mout01.posteo.de (Postfix) with ESMTPS id D3F6320E3D for ; Fri, 13 Jul 2018 15:39:45 +0200 (CEST) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=posteo.net; s=2017; t=1531489185; bh=sbpJA3FImAAp1sxfZ6M4KNebKXA4+xRfz0zb2oc63Yc=; h=From:To:Cc:Subject:Date:From; b=n+o9nslY5lxEicLroEl9MQFMuQSuO2gnHYt/zlHkNDv0tiFfbnR8g5BSilVXa1HoF 623uAMmiJwx4tXR6dNe3jDj29muGxpvCakdy+UsSDJG17zlCxlB5ThdHbNEwO3mXYU nGrc63Yek0kolWWBdHjIzF3Lljh7ApaMrALlnZJQhmhfGV6fkQ5wGgJZ7OQ3F/qwYy VIEHa0TSqFrjJPNkIyYvgh1bSuBi4XmI3YqoaHB6AMWdpHVP4r7fwxuEi9hKgrDBid jpvjEYiV7tqht1nHF2XijVCSDMSge+GrcvUmbYtGQH/nwPNDbn1IM2XnLbOUY9gpTO 6tcfUgcOws2dg== Received: from customer (localhost [127.0.0.1]) by submission (posteo.de) with ESMTPSA id 41Rv746Cnsz9rxF; Fri, 13 Jul 2018 15:39:44 +0200 (CEST) From: Kei Kebreau Date: Fri, 13 Jul 2018 09:39:41 -0400 Message-Id: <20180713133941.12371-1-kkebreau@posteo.net> X-Mailer: git-send-email 2.18.0 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] [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 (inchi): New variable. --- gnu/packages/chemistry.scm | 3 +++ 1 file changed, 3 insertions(+) diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index f1359b2cf..df79f252b 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -1,5 +1,6 @@ ;;; GNU Guix --- Functional package management for GNU ;;; Copyright =C2=A9 2018 Konrad Hinsen +;;; Copyright =C2=A9 2018 Kei Kebreau ;;; ;;; This file is part of GNU Guix. ;;; @@ -20,9 +21,11 @@ #:use-module (guix packages) #:use-module ((guix licenses) #:prefix license:) #:use-module (guix download) + #:use-module (gnu packages compression) #:use-module (gnu packages gv) #:use-module (gnu packages maths) #:use-module (gnu packages python) + #:use-module (guix build-system gnu) #:use-module (guix build-system python)) =20 (define-public domainfinder --=20 2.18.0 From unknown Tue Jun 24 22:40:03 2025 X-Loop: help-debbugs@gnu.org Subject: [bug#32138] [PATCH] gnu: Add inchi. Resent-From: Jelle Licht Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Fri, 13 Jul 2018 14:11:01 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: followup 32138 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: Kei Kebreau Cc: 32138@debbugs.gnu.org Received: via spool by 32138-submit@debbugs.gnu.org id=B32138.153149105220371 (code B ref 32138); Fri, 13 Jul 2018 14:11:01 +0000 Received: (at 32138) by debbugs.gnu.org; 13 Jul 2018 14:10:52 +0000 Received: from localhost ([127.0.0.1]:59077 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1fdymY-0005IT-Gl for submit@debbugs.gnu.org; Fri, 13 Jul 2018 10:10:52 -0400 Received: from mail1.fsfe.org ([217.69.89.151]:39826) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1fdymW-0005IL-OS for 32138@debbugs.gnu.org; Fri, 13 Jul 2018 10:10:49 -0400 References: <20180713133941.12371-1-kkebreau@posteo.net> User-agent: mu4e 1.0; emacs 26.1 From: Jelle Licht In-reply-to: <20180713133941.12371-1-kkebreau@posteo.net> Date: Fri, 13 Jul 2018 16:10:43 +0200 Message-ID: <87in5jcjks.fsf@fsfe.org> MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable X-Spam-Score: 0.0 (/) 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: -1.0 (-) Kei Kebreau writes: > * gnu/packages/chemistry.scm (inchi): New variable. > --- > gnu/packages/chemistry.scm | 3 +++ > 1 file changed, 3 insertions(+) > > diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm > index f1359b2cf..df79f252b 100644 > --- a/gnu/packages/chemistry.scm > +++ b/gnu/packages/chemistry.scm > @@ -1,5 +1,6 @@ > ;;; GNU Guix --- Functional package management for GNU > ;;; Copyright =C2=A9 2018 Konrad Hinsen > +;;; Copyright =C2=A9 2018 Kei Kebreau > ;;; > ;;; This file is part of GNU Guix. > ;;; > @@ -20,9 +21,11 @@ > #:use-module (guix packages) > #:use-module ((guix licenses) #:prefix license:) > #:use-module (guix download) > + #:use-module (gnu packages compression) > #:use-module (gnu packages gv) > #:use-module (gnu packages maths) > #:use-module (gnu packages python) > + #:use-module (guix build-system gnu) > #:use-module (guix build-system python)) >=20=20 > (define-public domainfinder It seems you forgot to commit the actual package definition :-). From unknown Tue Jun 24 22:40:03 2025 X-Loop: help-debbugs@gnu.org Subject: [bug#32138] [PATCH] gnu: Add inchi. Resent-From: Kei Kebreau Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Fri, 13 Jul 2018 19:03:01 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: followup 32138 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: Jelle Licht Cc: 32138@debbugs.gnu.org Received: via spool by 32138-submit@debbugs.gnu.org id=B32138.153150853514424 (code B ref 32138); Fri, 13 Jul 2018 19:03:01 +0000 Received: (at 32138) by debbugs.gnu.org; 13 Jul 2018 19:02:15 +0000 Received: from localhost ([127.0.0.1]:59228 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1fe3KY-0003ka-IZ for submit@debbugs.gnu.org; Fri, 13 Jul 2018 15:02:14 -0400 Received: from mout01.posteo.de ([185.67.36.65]:54203) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1fe3KW-0003kN-Ri for 32138@debbugs.gnu.org; Fri, 13 Jul 2018 15:02:13 -0400 Received: from submission (posteo.de [89.146.220.130]) by mout01.posteo.de (Postfix) with ESMTPS id 78BF920EB9 for <32138@debbugs.gnu.org>; Fri, 13 Jul 2018 21:02:06 +0200 (CEST) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=posteo.net; s=2017; t=1531508526; bh=nEdu7dAq9l8XKNQxGH792DBwATQIVEV6s2Bz5YMpIlk=; h=From:To:Cc:Subject:Date:From; b=Da4N80Ls1Qr6G74pD8iF4uMTe49j1nD2SEPfHR4nggIJG+f2oHqO6xrfkYiucPPnC 27Bh5O9SBJrrpwei19abdj5lkRXqr/rGA7hagKDBvgtt3ZUgyAEj0h9jzD8DncVCUa 2HoF8kp+udjGPRi8vevWxfv8/KjTMgZpbABg7ujEm6MC3rPg7RndLtlhCUa2l4L+HT GRekaOWaMNIExoHCBGveBT0L/dEucde/HScwgQ+KdJkSwOy+qUHoKQdDty/MvH0zGT sjLJdRgChicWw517P5RdaOXWUOvgLlayJFQ2qZeK8OBz0RvbvbLgblkLBJ11+iZoDs YcMc4KHkBNYwQ== Received: from customer (localhost [127.0.0.1]) by submission (posteo.de) with ESMTPSA id 41S2Gz6JWLz9rxP; Fri, 13 Jul 2018 21:02:03 +0200 (CEST) From: Kei Kebreau References: <20180713133941.12371-1-kkebreau@posteo.net> <87in5jcjks.fsf@fsfe.org> Date: Fri, 13 Jul 2018 15:01:47 -0400 In-Reply-To: <87in5jcjks.fsf@fsfe.org> (Jelle Licht's message of "Fri, 13 Jul 2018 16:10:43 +0200") Message-ID: <87a7qv0xk4.fsf@posteo.net> User-Agent: Gnus/5.13 (Gnus v5.13) Emacs/26.1 (gnu/linux) MIME-Version: 1.0 Content-Type: multipart/signed; boundary="==-=-="; micalg=pgp-sha256; protocol="application/pgp-signature" X-Spam-Score: -2.3 (--) 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 (---) --==-=-= Content-Type: multipart/mixed; boundary="=-=-=" --=-=-= Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable Jelle Licht writes: > Kei Kebreau writes: > >> * gnu/packages/chemistry.scm (inchi): New variable. >> --- >> gnu/packages/chemistry.scm | 3 +++ >> 1 file changed, 3 insertions(+) >> >> diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm >> index f1359b2cf..df79f252b 100644 >> --- a/gnu/packages/chemistry.scm >> +++ b/gnu/packages/chemistry.scm >> @@ -1,5 +1,6 @@ >> ;;; GNU Guix --- Functional package management for GNU >> ;;; Copyright =C2=A9 2018 Konrad Hinsen >> +;;; Copyright =C2=A9 2018 Kei Kebreau >> ;;; >> ;;; This file is part of GNU Guix. >> ;;; >> @@ -20,9 +21,11 @@ >> #:use-module (guix packages) >> #:use-module ((guix licenses) #:prefix license:) >> #:use-module (guix download) >> + #:use-module (gnu packages compression) >> #:use-module (gnu packages gv) >> #:use-module (gnu packages maths) >> #:use-module (gnu packages python) >> + #:use-module (guix build-system gnu) >> #:use-module (guix build-system python)) >>=20=20 >> (define-public domainfinder > > It seems you forgot to commit the actual package definition :-). Whoops! Let's try this again! --=-=-= Content-Type: text/plain; charset=utf-8 Content-Disposition: attachment; filename=0001-gnu-Add-inchi.patch Content-Transfer-Encoding: quoted-printable From=20d132ab76417f238f914eb681a1c0f81b2375a1f9 Mon Sep 17 00:00:00 2001 From: Kei Kebreau Date: Fri, 13 Jul 2018 09:35:27 -0400 Subject: [PATCH] gnu: Add inchi. * gnu/packages/chemistry.scm (inchi): New variable. =2D-- gnu/packages/chemistry.scm | 81 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 81 insertions(+) diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index f1359b2cf..1a5086d62 100644 =2D-- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -1,5 +1,6 @@ ;;; GNU Guix --- Functional package management for GNU ;;; Copyright =C2=A9 2018 Konrad Hinsen +;;; Copyright =C2=A9 2018 Kei Kebreau ;;; ;;; This file is part of GNU Guix. ;;; @@ -20,9 +21,11 @@ #:use-module (guix packages) #:use-module ((guix licenses) #:prefix license:) #:use-module (guix download) + #:use-module (gnu packages compression) #:use-module (gnu packages gv) #:use-module (gnu packages maths) #:use-module (gnu packages python) + #:use-module (guix build-system gnu) #:use-module (guix build-system python)) =20 (define-public domainfinder @@ -54,6 +57,84 @@ single structure. The software is currently not activel= y maintained and works only with Python 2 and NumPy < 1.9.") (license license:cecill-c))) =20 +(define-public inchi + (package + (name "inchi") + (version "1.05") + (source (origin + (method url-fetch) + (uri (string-append "http://www.inchi-trust.org/download/" + (string-join (string-split version #\.) = "") + "/INCHI-1-SRC.zip")) + (sha256 + (base32 + "081pcjx1z5jm23fs1pl2r3bccia0ww8wfkzcjpb7byhn7b513hsa")) + (file-name (string-append name "-" version ".zip")))) + (build-system gnu-build-system) + (arguments + '(#:tests? #f ; no check target + #:phases + (modify-phases %standard-phases + (delete 'configure) ; no configure script + (add-before 'build 'chdir-to-build-directory + (lambda _ (chdir "INCHI_EXE/inchi-1/gcc") #t)) + (add-after 'build 'build-library + (lambda _ + (chdir "../../../INCHI_API/libinchi/gcc") + (invoke "make"))) + (replace 'install + (lambda* (#:key inputs outputs #:allow-other-keys) + (let* ((out (assoc-ref outputs "out")) + (bin (string-append out "/bin")) + (doc (string-append out "/share/doc/inchi")) + (include-dir (string-append out "/include/inchi")) + (lib (string-append out "/lib/inchi")) + (inchi-doc (assoc-ref inputs "inchi-doc")) + (unzip (string-append (assoc-ref inputs "unzip") + "/bin/unzip"))) + (chdir "../../..") + ;; Install binary. + (with-directory-excursion "INCHI_EXE/bin/Linux" + (rename-file "inchi-1" "inchi") + (install-file "inchi" bin)) + ;; Install libraries. + (with-directory-excursion "INCHI_API/bin/Linux" + (for-each (lambda (file) + (install-file file lib)) + (find-files "." "libinchi\\.so\\.1\\.*"))) + ;; Install header files. + (with-directory-excursion "INCHI_BASE/src" + (for-each (lambda (file) + (install-file file include-dir)) + (find-files "." "\\.h$"))) + ;; Install documentation. + (mkdir-p doc) + (invoke unzip "-j" "-d" doc inchi-doc) + #t)))))) + (native-inputs + `(("unzip" ,unzip) + ("inchi-doc" + ,(origin + (method url-fetch) + (uri (string-append "http://www.inchi-trust.org/download/" + (string-join (string-split version #\.) = "") + "/INCHI-1-DOC.zip")) + (sha256 + (base32 + "1id1qb2y4lwsiw91qr2yqpn6kxbwjwhjk0hb2rwk4fxhdqib6da6")) + (file-name (string-append name "-" version ".zip")))))) + (home-page "https://www.inchi-trust.org") + (synopsis "Utility for manipulating machine-readable chemical structur= es") + (description + "The @dfn{InChI} (IUPAC International Chemical Identifier) algorithm = turns +chemical structures into machine-readable strings of information. InChIs = are +unique to the compound they describe and can encode absolute stereochemist= ry +making chemicals and chemistry machine-readable and discoverable. A simple +analogy is that InChI is the bar-code for chemistry and chemical structure= s.") + (license (license:non-copyleft + "file://LICENCE" + "See LICENCE in the distribution.")))) + (define with-numpy-1.8 (package-input-rewriting `((,python2-numpy . ,python2-numpy-1.8)))) =20 =2D-=20 2.18.0 --=-=-=-- --==-=-= Content-Type: application/pgp-signature; name="signature.asc" -----BEGIN PGP SIGNATURE----- iQIzBAEBCAAdFiEEg7ZwOtzKO2lLzi2m5qXuPBlGeg0FAltI9xsACgkQ5qXuPBlG eg33ghAAsYlMhDwOR9rINVbaAKSYw1PIJACXgKDrktz8/wxCNWORsHp2Im6HBzyW L7JPpbNrzLQmLvb3WVHuVb2NaezHrrkB9TeshKiaKFZXwQN8LfTrv6e8CvBnBPIw gpq4wen5yHqJRekEuwfHojYiORr+lwoO1H29QOWfU/mUbnH29t2gdQvIpA3eBN+n lu9Vvs6G2ntBhLsWszrrXtkpk110eFHsXJhwjPZ4CnTP/FLOjOCp5tGDcNP2e3KY +ai3xmp+fyZySP6XKd9Nz/viDajG/f1UhAbmIjuLNWau7OtYtVWTTIdbRGizubL0 lCz9zvx4JOhQsNLChH0viRRnG2r3JPXsAnIZMSXagYRt2ZCRFYAhIOOsvwL/h3j/ p8zNSHtUJi0dJmU+n0DLvhesuElw8jrHFf1h5cFFmLudMPSpzORNJeIOWxxvf8ui COT+JZBwvQXtm8j6jcugx3HlWTxnLTGlxa390rLcP5QEvUb8KfaRY3n5cWBFNTS1 T/pTGsvFXWk7M6xpH7CILDL6UoRnTUNwjg1uPdzGvk9LSXIq+04eqfiKu7PMvt99 jrX+ILGV3DokTo/5Pazr+1m7U3a4hLCP/et/2nHB3lTJGMMhIul0uI1u5mfbXKlt mA40mNFucOpPXYNiAQCSqAPeY+sZm3hT3DAerLQHjzZ1DAdY5Qs= =eQsX -----END PGP SIGNATURE----- --==-=-=-- From unknown Tue Jun 24 22:40:03 2025 X-Loop: help-debbugs@gnu.org Subject: [bug#32138] [PATCH] gnu: Add inchi. Resent-From: Leo Famulari Original-Sender: "Debbugs-submit" Resent-CC: guix-patches@gnu.org Resent-Date: Fri, 13 Jul 2018 21:39:01 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: followup 32138 X-GNU-PR-Package: guix-patches X-GNU-PR-Keywords: patch To: Kei Kebreau Cc: Jelle Licht , 32138@debbugs.gnu.org Received: via spool by 32138-submit@debbugs.gnu.org id=B32138.153151792229057 (code B ref 32138); Fri, 13 Jul 2018 21:39:01 +0000 Received: (at 32138) by debbugs.gnu.org; 13 Jul 2018 21:38:42 +0000 Received: from localhost ([127.0.0.1]:59315 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1fe5lw-0007YY-Mc for submit@debbugs.gnu.org; Fri, 13 Jul 2018 17:38:42 -0400 Received: from out2-smtp.messagingengine.com ([66.111.4.26]:56643) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1fe5lu-0007YQ-Kw for 32138@debbugs.gnu.org; Fri, 13 Jul 2018 17:38:38 -0400 Received: from compute4.internal (compute4.nyi.internal [10.202.2.44]) by mailout.nyi.internal (Postfix) with ESMTP id 83D2921B42; Fri, 13 Jul 2018 17:38:38 -0400 (EDT) Received: from mailfrontend2 ([10.202.2.163]) by compute4.internal (MEProxy); Fri, 13 Jul 2018 17:38:38 -0400 DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=famulari.name; h=cc:content-type:date:from:in-reply-to:message-id:mime-version :references:subject:to:x-me-sender:x-me-sender:x-sasl-enc; s= mesmtp; bh=W26kH826Tv41IZdThjB4dtdD/B3cxjuq/iiexA7MWh4=; b=l6Tya n558L7soIIImkWUDjjZh9aqJCpF4rq4vMaI6bFUgELvJ5hreZvLqmIAUD/42wVt1 Ci3qf6QTHfQl+yKMQuUa5H7qSC/J2D0WDKxuEB0EyUfEj93+znRWsA5G/2PF//Aj 9iwENBA9A6/W13x/hN5YADn92pHvkUP/gji3VY= DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d= messagingengine.com; h=cc:content-type:date:from:in-reply-to :message-id:mime-version:references:subject:to:x-me-sender :x-me-sender:x-sasl-enc; s=fm3; bh=W26kH826Tv41IZdThjB4dtdD/B3cx juq/iiexA7MWh4=; b=DFvbe4btsaEMZT77K7fVLY1JsVdEpnFi41xOVWabtz3XA lBrvrahHz1ncvtBvsLTOFcT5+sYoN1P1KfQEwWKe1Z6GQvvodv/iIEQm/Tt8uH5u 7TItfMpSs/HVxCudEh16kpmQ3h/xgo0/fTDVvwvbcmJb9+Ok6lcf3Dh86RIZbhVl mNuGdCq+Fg2W+FnhMzdD7CytvwuNZqAbOr65hfwRboih0rLIOV/BC21nlsAQ34/i IETfMFIZloVxY7VXsw77JInOlNnZa0cyNjQCSDiifO3OfEOQcy2/jUZruqv+6xVG jigwODGaMXvNZjRRyLf99Ptk2fncLuvJMNjvAvXyQ== X-ME-Proxy: X-ME-Sender: Received: from localhost (c-76-124-202-137.hsd1.pa.comcast.net [76.124.202.137]) by mail.messagingengine.com (Postfix) with ESMTPA id D587110266; Fri, 13 Jul 2018 17:38:37 -0400 (EDT) Date: Fri, 13 Jul 2018 17:38:37 -0400 From: Leo Famulari Message-ID: <20180713213837.GB30184@jasmine.lan> References: <20180713133941.12371-1-kkebreau@posteo.net> <87in5jcjks.fsf@fsfe.org> <87a7qv0xk4.fsf@posteo.net> MIME-Version: 1.0 Content-Type: multipart/signed; micalg=pgp-sha256; protocol="application/pgp-signature"; boundary="i9LlY+UWpKt15+FH" Content-Disposition: inline In-Reply-To: <87a7qv0xk4.fsf@posteo.net> User-Agent: Mutt/1.10.0 (2018-05-17) X-Spam-Score: -0.7 (/) 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: -1.7 (-) --i9LlY+UWpKt15+FH Content-Type: text/plain; charset=us-ascii Content-Disposition: inline Content-Transfer-Encoding: quoted-printable On Fri, Jul 13, 2018 at 03:01:47PM -0400, Kei Kebreau wrote: > From d132ab76417f238f914eb681a1c0f81b2375a1f9 Mon Sep 17 00:00:00 2001 > From: Kei Kebreau > Date: Fri, 13 Jul 2018 09:35:27 -0400 > Subject: [PATCH] gnu: Add inchi. >=20 > * gnu/packages/chemistry.scm (inchi): New variable. LGTM, thanks! --i9LlY+UWpKt15+FH Content-Type: application/pgp-signature; name="signature.asc" -----BEGIN PGP SIGNATURE----- iQIzBAABCAAdFiEEsFFZSPHn08G5gDigJkb6MLrKfwgFAltJG9wACgkQJkb6MLrK fwhpDBAAyq+hVDYIXLWgOHwnsDkT0SmmoM0WPh/TQqSqWIlXlaLQIpv1Qd9XVVwl Jq9n7EKAZgqb4NNhGT1ZeweL3fIBtmalTVrcg9cooapPEojGVmBa0mgX+9GdQPd9 KaT2SPR64uYvjyBqfNSXlOb/Tp496511K2gATU9I+Ynjji+PU7Rno1HmEkAzTaDN VQV0B4i7C4zd0tEAnBLJbxbI1WCh98fdl0oypa0zbA2cGN8jNUvOsf5gs+S8HDis Yc4E82LxoV6sL45vYhTBkPl0VrW/YNibJbnTcZKmsVRTRvw01BZceUegCKdzE9RZ ReJ8mhIjUSVRP7BztXdLEjhDQhZm33Puzrz2G8gfiO4qOZ7LOE4j+j3eTh76tbBj ovwJU2CaRHYfT05Ya+n6tlf7D+aFbS4fLs5xMQxwfIKWw38CCLC1jL/AwzqTfZw8 Al8aTVajqD+Q4VuwCUuWNxwBjBHWbcF3t32C58mkkvtQl3Tw1R4tl2vvYYxcaUfM R7Wpc5/GvmQvkLYsnHSAd/HPGMTrzkhEdAjr9n7zM3ba+ojE3OADGlLquJ20vT0H pXZB8lOjOPBR9YSbOzbYLNMw2vtHqdp6iA2bCpkssXc2r/6G7XrodqQth4oKOulV ClYtZJO1LK1nWvytyfKcaStwIU+JIQmVGWnt0TEJG72qZethvrM= =XSbk -----END PGP SIGNATURE----- --i9LlY+UWpKt15+FH-- From unknown Tue Jun 24 22:40:03 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#32138: closed (Re: [bug#32138] [PATCH] gnu: Add inchi.) Message-ID: References: <87601i1rpa.fsf@posteo.net> <20180713133941.12371-1-kkebreau@posteo.net> X-Gnu-PR-Message: they-closed 32138 X-Gnu-PR-Package: guix-patches X-Gnu-PR-Keywords: patch Reply-To: 32138@debbugs.gnu.org Date: Sat, 14 Jul 2018 02:24:02 +0000 Content-Type: multipart/mixed; boundary="----------=_1531535042-22032-1" This is a multi-part message in MIME format... ------------=_1531535042-22032-1 Content-Disposition: inline Content-Transfer-Encoding: quoted-printable Content-Type: text/plain; charset="utf-8" Your bug report #32138: [PATCH] gnu: Add inchi. 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 32138@debbugs.gnu.org. --=20 32138: http://debbugs.gnu.org/cgi/bugreport.cgi?bug=3D32138 GNU Bug Tracking System Contact help-debbugs@gnu.org with problems ------------=_1531535042-22032-1 Content-Type: message/rfc822 Content-Disposition: inline Content-Transfer-Encoding: 7bit Received: (at 32138-done) by debbugs.gnu.org; 14 Jul 2018 02:23:09 +0000 Received: from localhost ([127.0.0.1]:59365 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1feADF-0005iF-0m for submit@debbugs.gnu.org; Fri, 13 Jul 2018 22:23:09 -0400 Received: from mout01.posteo.de ([185.67.36.65]:60299) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1feADC-0005hY-Tq for 32138-done@debbugs.gnu.org; Fri, 13 Jul 2018 22:23:07 -0400 Received: from submission (posteo.de [89.146.220.130]) by mout01.posteo.de (Postfix) with ESMTPS id BD6AC21122 for <32138-done@debbugs.gnu.org>; Sat, 14 Jul 2018 04:23:00 +0200 (CEST) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=posteo.net; s=2017; t=1531534980; bh=6dFtkbUMCyBp/6viyFZPfdEJFli3QgHnS9+3xQ982L4=; h=From:To:Cc:Subject:Date:From; b=aE5juDkL/KC9PQmkcQ+I4+/1dwdyVkvmT3T7PfvrzzVrFAS8BXVEQ8o0keKiWbrhd U24VGg/Zub6XpLN/erHsoLuUnUjZ1ZqoKS6X259mAZwdJCNPD+R5h+MmlchlZBTcMD 4h5Tj5ziK5on1jbL/SwwVv5s1tay5ns/G6Jyf1XxU6MZxYW2GaSPS8gzQCdXTHKNr2 g7mMSUzhHrXe+Sw88VU3qgq9SJUEkXCC/2IhCwM98WfSn1xyY2JOVaFEyh+ep1U1wI jNjafoqRiWCtNYTc6/iPt+v7CdAdHEU4+/f3FxfXQmVC8hvY64HGA5FVHddmAh8ULd HsSxWLejDLtPQ== Received: from customer (localhost [127.0.0.1]) by submission (posteo.de) with ESMTPSA id 41SD3l2sZPz9rxG; Sat, 14 Jul 2018 04:22:59 +0200 (CEST) From: Kei Kebreau To: Leo Famulari Subject: Re: [bug#32138] [PATCH] gnu: Add inchi. References: <20180713133941.12371-1-kkebreau@posteo.net> <87in5jcjks.fsf@fsfe.org> <87a7qv0xk4.fsf@posteo.net> <20180713213837.GB30184@jasmine.lan> Date: Fri, 13 Jul 2018 22:22:57 -0400 In-Reply-To: <20180713213837.GB30184@jasmine.lan> (Leo Famulari's message of "Fri, 13 Jul 2018 17:38:37 -0400") Message-ID: <87601i1rpa.fsf@posteo.net> User-Agent: Gnus/5.13 (Gnus v5.13) Emacs/26.1 (gnu/linux) MIME-Version: 1.0 Content-Type: multipart/signed; boundary="=-=-="; micalg=pgp-sha256; protocol="application/pgp-signature" X-Spam-Score: -2.3 (--) X-Debbugs-Envelope-To: 32138-done Cc: Jelle Licht , 32138-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 (---) --=-=-= Content-Type: text/plain Content-Transfer-Encoding: quoted-printable Leo Famulari writes: > On Fri, Jul 13, 2018 at 03:01:47PM -0400, Kei Kebreau wrote: >> From d132ab76417f238f914eb681a1c0f81b2375a1f9 Mon Sep 17 00:00:00 2001 >> From: Kei Kebreau >> Date: Fri, 13 Jul 2018 09:35:27 -0400 >> Subject: [PATCH] gnu: Add inchi. >>=20 >> * gnu/packages/chemistry.scm (inchi): New variable. > > LGTM, thanks! Thanks for reviewing! There are more chemistry-related packages on the way. --=-=-= Content-Type: application/pgp-signature; name="signature.asc" -----BEGIN PGP SIGNATURE----- iQIzBAEBCAAdFiEEg7ZwOtzKO2lLzi2m5qXuPBlGeg0FAltJXoEACgkQ5qXuPBlG eg1JBQ//fVYpgMW35QxFsG0HjRzSBxhzEkWtjZ79y0Ah1SFHAkGG+nRLgDglfrtA EhNooytukKKlGT+76UiLtLPu2CgQ4AQYFgtOQ/1uVw/YdtHtFTEEOSCrUJu+O01O yd59Mw99MEzDmblKHobVkTCzPCunRsrynchfz5/DO4XExQZZyXeaeriyWwRhSR6Y rwzFQjyzAQ0jZGk/XtkhUB992yxuYDz1VIpg4AEhEDIsVfyPej+PiRfgUIxmvAXy FxgUrXZkZl3IByk8vvmQ1u5jC24fCL/T5dpomTtnLnBNxYOeYdBjbiWV9OivMTFl RiFidQdc0fDz0URqETZFFWLih6Dhxy0gft77sfWvQTaQKOpLXFE+ktafNHeFvtkn +6sftf9hzSeFOyaBB/0Vxm5yIckv0w5sHt+5TIGQQGA0jj0+JjKYi9RQVWwtpDfZ xKQMX7InmCrArxsXZg3NKw9fPZOrkgD4xBqwB7Uc4ecf2CLq6QeR8S6P2Y52WX2Z OXMvAIdv+85ibXwim0udAHwWYSIW1BJv8RPxfEPu6NgS5KkA4lcayBmsH0kyDDxc abBJa2luT6dJ48BOQu91p7ZH4C44IDC6xakwUNfh/AKk5MZYYXQkY1Xj9df1Wy+Y o54ISKOpDE8uaVo5ZiaK7KEPwCN2dIIz8FGSjUfC2h8hO/IGDcM= =mnZF -----END PGP SIGNATURE----- --=-=-=-- ------------=_1531535042-22032-1 Content-Type: message/rfc822 Content-Disposition: inline Content-Transfer-Encoding: 7bit Received: (at submit) by debbugs.gnu.org; 13 Jul 2018 13:40:01 +0000 Received: from localhost ([127.0.0.1]:57817 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1fdyIj-0004GY-Da for submit@debbugs.gnu.org; Fri, 13 Jul 2018 09:40:01 -0400 Received: from eggs.gnu.org ([208.118.235.92]:58824) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1fdyIh-0004GJ-JY for submit@debbugs.gnu.org; Fri, 13 Jul 2018 09:40:00 -0400 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1fdyIb-0006xd-Lp for submit@debbugs.gnu.org; Fri, 13 Jul 2018 09:39:54 -0400 X-Spam-Checker-Version: SpamAssassin 3.3.2 (2011-06-06) on eggs.gnu.org X-Spam-Level: X-Spam-Status: No, score=-0.5 required=5.0 tests=BAYES_05,T_DKIM_INVALID autolearn=disabled version=3.3.2 Received: from lists.gnu.org ([2001:4830:134:3::11]:33431) by eggs.gnu.org with esmtps (TLS1.0:RSA_AES_256_CBC_SHA1:32) (Exim 4.71) (envelope-from ) id 1fdyIb-0006xT-HV for submit@debbugs.gnu.org; Fri, 13 Jul 2018 09:39:53 -0400 Received: from eggs.gnu.org ([2001:4830:134:3::10]:49772) by lists.gnu.org with esmtp (Exim 4.71) (envelope-from ) id 1fdyIa-0002ai-EZ for guix-patches@gnu.org; Fri, 13 Jul 2018 09:39:53 -0400 Received: from Debian-exim by eggs.gnu.org with spam-scanned (Exim 4.71) (envelope-from ) id 1fdyIX-0006t6-Bd for guix-patches@gnu.org; Fri, 13 Jul 2018 09:39:52 -0400 Received: from mout01.posteo.de ([185.67.36.65]:57611) by eggs.gnu.org with esmtps (TLS1.0:DHE_RSA_AES_256_CBC_SHA1:32) (Exim 4.71) (envelope-from ) id 1fdyIW-0006nt-T8 for guix-patches@gnu.org; Fri, 13 Jul 2018 09:39:49 -0400 Received: from submission (posteo.de [89.146.220.130]) by mout01.posteo.de (Postfix) with ESMTPS id D3F6320E3D for ; Fri, 13 Jul 2018 15:39:45 +0200 (CEST) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/simple; d=posteo.net; s=2017; t=1531489185; bh=sbpJA3FImAAp1sxfZ6M4KNebKXA4+xRfz0zb2oc63Yc=; h=From:To:Cc:Subject:Date:From; b=n+o9nslY5lxEicLroEl9MQFMuQSuO2gnHYt/zlHkNDv0tiFfbnR8g5BSilVXa1HoF 623uAMmiJwx4tXR6dNe3jDj29muGxpvCakdy+UsSDJG17zlCxlB5ThdHbNEwO3mXYU nGrc63Yek0kolWWBdHjIzF3Lljh7ApaMrALlnZJQhmhfGV6fkQ5wGgJZ7OQ3F/qwYy VIEHa0TSqFrjJPNkIyYvgh1bSuBi4XmI3YqoaHB6AMWdpHVP4r7fwxuEi9hKgrDBid jpvjEYiV7tqht1nHF2XijVCSDMSge+GrcvUmbYtGQH/nwPNDbn1IM2XnLbOUY9gpTO 6tcfUgcOws2dg== Received: from customer (localhost [127.0.0.1]) by submission (posteo.de) with ESMTPSA id 41Rv746Cnsz9rxF; Fri, 13 Jul 2018 15:39:44 +0200 (CEST) From: Kei Kebreau To: guix-patches@gnu.org Subject: [PATCH] gnu: Add inchi. Date: Fri, 13 Jul 2018 09:39:41 -0400 Message-Id: <20180713133941.12371-1-kkebreau@posteo.net> X-Mailer: git-send-email 2.18.0 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] [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 (inchi): New variable. --- gnu/packages/chemistry.scm | 3 +++ 1 file changed, 3 insertions(+) diff --git a/gnu/packages/chemistry.scm b/gnu/packages/chemistry.scm index f1359b2cf..df79f252b 100644 --- a/gnu/packages/chemistry.scm +++ b/gnu/packages/chemistry.scm @@ -1,5 +1,6 @@ ;;; GNU Guix --- Functional package management for GNU ;;; Copyright =C2=A9 2018 Konrad Hinsen +;;; Copyright =C2=A9 2018 Kei Kebreau ;;; ;;; This file is part of GNU Guix. ;;; @@ -20,9 +21,11 @@ #:use-module (guix packages) #:use-module ((guix licenses) #:prefix license:) #:use-module (guix download) + #:use-module (gnu packages compression) #:use-module (gnu packages gv) #:use-module (gnu packages maths) #:use-module (gnu packages python) + #:use-module (guix build-system gnu) #:use-module (guix build-system python)) =20 (define-public domainfinder --=20 2.18.0 ------------=_1531535042-22032-1--