From mboxrd@z Thu Jan 1 00:00:00 1970 Return-Path: Received: from mp0 ([2001:41d0:8:6d80::]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits)) by ms0.migadu.com with LMTPS id aAG0Cmp4TmHeewEAgWs5BA (envelope-from ) for ; Sat, 25 Sep 2021 03:16:26 +0200 Received: from aspmx1.migadu.com ([2001:41d0:8:6d80::]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits)) by mp0 with LMTPS id GHJvBmp4TmFuPQAA1q6Kng (envelope-from ) for ; Sat, 25 Sep 2021 01:16:26 +0000 Received: from lists.gnu.org (lists.gnu.org [209.51.188.17]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (No client certificate requested) by aspmx1.migadu.com (Postfix) with ESMTPS id 8781F17925 for ; Sat, 25 Sep 2021 03:16:25 +0200 (CEST) Received: from localhost ([::1]:47084 helo=lists1p.gnu.org) by lists.gnu.org with esmtp (Exim 4.90_1) (envelope-from ) id 1mTwIi-0001Dt-0n for larch@yhetil.org; Fri, 24 Sep 2021 21:16:24 -0400 Received: from eggs.gnu.org ([2001:470:142:3::10]:44636) by lists.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_256_GCM_SHA384:256) (Exim 4.90_1) (envelope-from ) id 1mTwIM-0001Dl-JA for bug-guix@gnu.org; Fri, 24 Sep 2021 21:16:02 -0400 Received: from debbugs.gnu.org ([209.51.188.43]:48132) by eggs.gnu.org with esmtps (TLS1.2:ECDHE_RSA_AES_128_GCM_SHA256:128) (Exim 4.90_1) (envelope-from ) id 1mTwIM-0000YU-Bm for bug-guix@gnu.org; Fri, 24 Sep 2021 21:16:02 -0400 Received: from Debian-debbugs by debbugs.gnu.org with local (Exim 4.84_2) (envelope-from ) id 1mTwIM-0004LK-6K for bug-guix@gnu.org; Fri, 24 Sep 2021 21:16:02 -0400 X-Loop: help-debbugs@gnu.org Subject: bug#32691: OpenMolcas Resent-From: Sarah Morgensen Original-Sender: "Debbugs-submit" Resent-CC: bug-guix@gnu.org Resent-Date: Sat, 25 Sep 2021 01:16:02 +0000 Resent-Message-ID: Resent-Sender: help-debbugs@gnu.org X-GNU-PR-Message: followup 32691 X-GNU-PR-Package: guix X-GNU-PR-Keywords: To: Eric Brown Received: via spool by 32691-submit@debbugs.gnu.org id=B32691.163253256016582 (code B ref 32691); Sat, 25 Sep 2021 01:16:02 +0000 Received: (at 32691) by debbugs.gnu.org; 25 Sep 2021 01:16:00 +0000 Received: from localhost ([127.0.0.1]:59678 helo=debbugs.gnu.org) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1mTwIJ-0004J0-RK for submit@debbugs.gnu.org; Fri, 24 Sep 2021 21:16:00 -0400 Received: from out2.migadu.com ([188.165.223.204]:12541) by debbugs.gnu.org with esmtp (Exim 4.84_2) (envelope-from ) id 1mTwIH-0004FO-49 for 32691@debbugs.gnu.org; Fri, 24 Sep 2021 21:15:58 -0400 X-Report-Abuse: Please report any abuse attempt to abuse@migadu.com and include these headers. DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=mgsn.dev; s=key1; t=1632532554; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding: in-reply-to:in-reply-to:references:references; bh=+6E4OVugLebhpF7UhvXMMVCq7JPICPgyoGfxrhlHnD4=; b=YpksTNTSRRMpAgXl7PHqwtIYamuJ5Mg5yFIk4h48hb38K/L6Fuzg8me8fiKTaJ0vlzB45f CME718uqdvmh7VwRYrrZms8klaEoBi0tO3imWkGgLvh5z04WsYg28ni0y1uJi5vvHCyyzj Q6yX82dxwMUjygHHUXSvNdiE9uOEu1Q= From: Sarah Morgensen References: <87d0tkk6gh.fsf@fastmail.com> <87h8isjund.fsf@gnu.org> <87bm90uo09.fsf@fastmail.com> <875zz36du9.fsf@gnu.org> <87worhvxe3.fsf@fastmail.com> <86tuioj44f.fsf@mgsn.dev> Date: Fri, 24 Sep 2021 18:15:52 -0700 In-Reply-To: (Eric Brown's message of "Mon, 13 Sep 2021 07:53:43 -0500 (1 week, 4 days, 12 hours ago)") Message-ID: <86sfxtwj3r.fsf@mgsn.dev> MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: quoted-printable X-BeenThere: debbugs-submit@debbugs.gnu.org X-Mailman-Version: 2.1.18 Precedence: list X-BeenThere: bug-guix@gnu.org List-Id: Bug reports for GNU Guix List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , Cc: 32691@debbugs.gnu.org Errors-To: bug-guix-bounces+larch=yhetil.org@gnu.org Sender: "bug-Guix" X-Migadu-Flow: FLOW_IN ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=yhetil.org; s=key1; t=1632532585; h=from:from:sender:sender:reply-to:subject:subject:date:date: message-id:message-id:to:to:cc:cc:mime-version:mime-version: content-type:content-type: content-transfer-encoding:content-transfer-encoding:resent-cc: resent-from:resent-sender:resent-message-id:in-reply-to:in-reply-to: references:references:list-id:list-help:list-unsubscribe: list-subscribe:list-post:dkim-signature; bh=+6E4OVugLebhpF7UhvXMMVCq7JPICPgyoGfxrhlHnD4=; b=MeSoSODvf7MFnF4YVHGicr9G/tHq0kPXN9nczziEgoT9tYqWFqhdJCEjKfvYdXgCA+G+KK qyJzDgR+DXpcEM2VHicmG30MIVFiKpjnO16B1PbmFwarfGeHKJomjED+62XPsfRVMRYk15 EIsdEuFKxr0/YHreTd2A0JsbR0oa7b7ShJEtsL7bb/TIHfBsvEQp0ogb2FcmK+kJNgzoPf xXM24LFtliMsoEYjUj1+52CkaKjI/rCLDj6unOww0wwSElN6Zj0GFQvNlxDVuE+rO6fk8Y SBYuI2xfg7Xr7aSPbnLp/+H79WUlkXo7tqZhtmBJNM+JeIR4UuPqxdy7t7/uIw== ARC-Seal: i=1; s=key1; d=yhetil.org; t=1632532585; a=rsa-sha256; cv=none; b=PXSQCP+lrUzJ7PiI14xs/VjfqTxaTasHCNaB3U552/5A5roRDv3FEpMQ1d4hWI4pAtD9DX zuVpS71myFqFT0wMuUMRFKDxTw1LBcqc8/+xgr04q2/0B4uMnzODVFNXS7vNLbDRTmMk9i TQN6X+I7v/mJs5KBuYiFF+6A1+vYQVQeyojv6CQXspYzPMgcDJnkl6T2Xj7gPxE/rXYUTO npU5qzaf/Hv7BYHCepEJBSnQ2Q9qbSfO5cx4reYwcUNNSPZuzEe770CfDVgc5QxU/h5SGC RvjQfS9B86SjVtZ0EX1pd+fnHmVD9ApwY+eWGNSljFIohDM3rKOJe+qpQp1Hnw== ARC-Authentication-Results: i=1; aspmx1.migadu.com; dkim=fail ("headers rsa verify failed") header.d=mgsn.dev header.s=key1 header.b=YpksTNTS; spf=pass (aspmx1.migadu.com: domain of bug-guix-bounces@gnu.org designates 209.51.188.17 as permitted sender) smtp.mailfrom=bug-guix-bounces@gnu.org X-Migadu-Spam-Score: 0.21 Authentication-Results: aspmx1.migadu.com; dkim=fail ("headers rsa verify failed") header.d=mgsn.dev header.s=key1 header.b=YpksTNTS; dmarc=fail reason="SPF not aligned (relaxed)" header.from=mgsn.dev (policy=none); spf=pass (aspmx1.migadu.com: domain of bug-guix-bounces@gnu.org designates 209.51.188.17 as permitted sender) smtp.mailfrom=bug-guix-bounces@gnu.org X-Migadu-Queue-Id: 8781F17925 X-Spam-Score: 0.21 X-Migadu-Scanner: scn0.migadu.com X-TUID: 38XolqRPW+MM Hi Eric, Eric Brown writes: >> On Sep 13, 2021, at 3:01 AM, Sarah Morgensen wrote: >>=20 >>=20 >> Thanks for all your work on this package. Did you ever make further >> progress on this? Are you still interested in working on getting >> OpenMolcas in Guix? >>=20 >> =E2=80=94 >> Sarah > > Hi Sarah, > > I have made a new port from scratch, which I am testing currently. It ca= n be found here: > > (channel > (name 'ecbrown-guix) > (url "https://ericcbrown.com/ecbrown/ecbrown-guix.git") > (introduction > (make-channel-introduction > "72e02daa4cf59a5e591387e299729f2509128b58" > (openpgp-fingerprint > "AA5F 523D FD6D 0478 8505 6A7D C1D5 F8F0 85BF 4CF3")))) > > I would appreciate any help that you might provide! > > Best regards, > Eric I'm glad to see that you've continued to work on this! I took a look at your definition and the package it builds, and I'll start with two things: Syntactically, you can do something like this in your extra phase: (let* ((out (assoc-ref outputs "out")) (share (string-append out "/share/openmolcas"))) (mkdir-p share) (for-each (lambda (file) (rename-file file (string-append share "/" file))) '("LICENSE" "data" ...)) and to symlink (like you allude to in the phase name): (symlink target name) Looking at the actual package, it looks like there are several ".exe" executables (which are actually ELF and runnable on Linux?) along with matching ".prgm" files which (it looks like) are required to load and run the executables. Are these part of OpenMolcas itself, or are they examples or something? It would be best if we can avoid putting architecture-specific files (that is, executables) in "/share". Finally, rather than propagating python inputs, we can probably use the 'wrap' phase from python-build-system. Adding that is a bit more complex, but you can look at the 'nncp' package for an example of how this is done (it uses gnu-build-system, but takes phases from go-build-system). Okay, that was three things, but what can you do? :) -- Sarah