From mboxrd@z Thu Jan 1 00:00:00 1970 Received: from lists.gentoo.org ([140.105.134.102] helo=robin.gentoo.org) by nuthatch.gentoo.org with esmtp (Exim 4.60) (envelope-from ) id 1FoHEB-0002wq-Rn for garchives@archives.gentoo.org; Thu, 08 Jun 2006 09:55:00 +0000 Received: from robin.gentoo.org (localhost [127.0.0.1]) by robin.gentoo.org (8.13.6/8.13.6) with SMTP id k589rTFK019592; Thu, 8 Jun 2006 09:53:29 GMT Received: from av2.karneval.cz (mx0.karneval.cz [81.27.192.108]) by robin.gentoo.org (8.13.6/8.13.6) with ESMTP id k589rSUY003418 for ; Thu, 8 Jun 2006 09:53:28 GMT Received: from localhost (localhost [127.0.0.1]) by av2.karneval.cz (Postfix) with ESMTP id AD6601DBF3B for ; Thu, 8 Jun 2006 11:53:28 +0200 (CEST) Received: from av2.karneval.cz ([127.0.0.1]) by localhost (av2 [127.0.0.1]) (amavisd-new, port 10024) with ESMTP id 17011-07 for ; Thu, 8 Jun 2006 11:53:27 +0200 (CEST) Received: from mail.karneval.cz (mx1.karneval.cz [81.27.192.53]) by av2.karneval.cz (Postfix) with ESMTP id 492291DBB90 for ; Thu, 8 Jun 2006 11:53:27 +0200 (CEST) Received: from [147.231.133.192] (gentoo.iic.cas.cz [147.231.133.192]) (using TLSv1 with cipher DHE-RSA-AES256-SHA (256/256 bits)) (No client certificate requested) by mail.karneval.cz (Postfix) with ESMTP id 3F76F2BF60B for ; Thu, 8 Jun 2006 11:53:27 +0200 (CEST) Message-ID: <4487F396.5040905@centrum.cz> Date: Thu, 08 Jun 2006 11:53:26 +0200 From: =?ISO-8859-2?Q?Honza_Mach=E1=E8ek?= User-Agent: Mozilla/5.0 (X11; U; Linux i686; cs-CZ; rv:1.7.13) Gecko/20060509 X-Accept-Language: en-us, en Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-science@gentoo.org Reply-to: gentoo-science@lists.gentoo.org MIME-Version: 1.0 To: gentoo-science@lists.gentoo.org Subject: [gentoo-science] Quantum ESPRESSO Content-Type: text/plain; charset=ISO-8859-2 X-Virus-Scanned: by karneval.cz Content-Transfer-Encoding: quoted-printable X-MIME-Autoconverted: from 8bit to quoted-printable by robin.gentoo.org id k589rTFg019592 X-Archives-Salt: e85ab83c-63db-42c2-85fc-a78af41aec1d X-Archives-Hash: 288c567b6eb4a43b9b16b9cc226e0198 I have just manually compiled Quantum ESPRESSO on my Athlon 2500+. Since I have little experience in making ebuilds and not much time for trying, I'm not sure if I can produce anything usable for Bugzilla. Therefore I at least rely, what I did: 1. Tried playing with the ebuild from Spyderous overlay, thoug I don't have ifc. All my attempts only crippled the ebuild and failed miserably. 2. Tried manual compilation of the sources from http://www.pwscf.org/download.htm using gfortran of gcc-4.1.1 (F90=3Dgfortran ./configure && make all). Died of internal compiler error. 3. Looked at g95 (http://www.g95.org/src.shtml). Ugly source structure, queer building sequence and essentially no version numbering. May be best installed as an option of gcc (g95 USE flag?). 4. Looked at the gcc-4.1.1 ebuild. Heavy reading due to heavy use of the toolchain eclass. Gave up ebuild adaptation. 5. Tried manual compilation of g95 with gcc-4.1.1 sources. Failed. 6. Tried manual compilation of g95 with gcc-4.0.3 sources, that according to the webpage should work. Success. Installed in /usr/local and added /usr/local/bin/g95 symlink to i686-pc-linux-gnu-g95. Standalone ebuild for g95 would be probably better than merging it with gcc after all, and easier to create too, yet still likely beyond my abili= ty. 7. Tried manual compilation of ESPRESSO (./configure && make all). Mostly worked, only tools crashed due to metadyn_pp referencing undefined pgopen_. 8. Found on the web that pgopen should be found in the pgplot package. Tried to emerge that, but failed for the lack of g77. 9. Mangled pgplot ebuild to recognize g95 and tried emerging again. g95 was not accepted by the ebuild. 10. Mangled pgplot ebuild to recognize gfortran and tried emerging again. Failed due to syntax errors in arguments supplied to GRGI0[1-6] functions. 11. Turned again to g95. Mangled fortran.eclass to recognize that (and prioritize over gfortran, althoug not stating gfortran in the ebuild might neutralize its default priority as well). Emerged pgplot. g95 shouted warnings of ``Inconsistent types (INTEGER(4)/INTEGER(1)) in actual argument lists'' in GRGI0[1-6] functions, but compiled the code. 12. Tried manual compilation of ESPRESSO (./configure && make all). Mostly worked, only tools crashed due to metadyn_pp referencing undefined pgopen_. 13. Grepped the ESPRESSO source tree for pgopen_, found nothing. Grepped for pgplot. Found libraries configuration mentioned in pwtools/metadyn_pp.f90, but nowhere in makefiles or the configure script. 14. Edited make.sys, added -D__PGPLOT to DFLAGS and ``-lm -lc -lpgplot -lX11'' to LIBS. Compiled successfuly. Now I have to first learn using ESPRESSO to test, wheather my build actually works. If I manage to sum up my compilation steps into ebuilds and patches, I'll put them on Bugzilla, but I'm affraid I cannot promise that. With best regards Honza Mach=E1=E8ek --=20 gentoo-science@gentoo.org mailing list