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 1FoM2A-0004uu-Sh for garchives@archives.gentoo.org; Thu, 08 Jun 2006 15:02:55 +0000 Received: from robin.gentoo.org (localhost [127.0.0.1]) by robin.gentoo.org (8.13.6/8.13.6) with SMTP id k58Exd1k017337; Thu, 8 Jun 2006 14:59:39 GMT Received: from smtp.gentoo.org (smtp.gentoo.org [140.211.166.183]) by robin.gentoo.org (8.13.6/8.13.6) with ESMTP id k58ExbsI032183 for ; Thu, 8 Jun 2006 14:59:38 GMT Received: from [192.168.1.105] (c-67-171-150-177.hsd1.or.comcast.net [67.171.150.177]) (using TLSv1 with cipher DHE-RSA-AES256-SHA (256/256 bits)) (No client certificate requested) by smtp.gentoo.org (Postfix) with ESMTP id BF3B765212 for ; Thu, 8 Jun 2006 14:59:36 +0000 (UTC) Message-ID: <44883B50.5090101@gentoo.org> Date: Thu, 08 Jun 2006 07:59:28 -0700 From: Donnie Berkholz User-Agent: Thunderbird 1.5.0.2 (X11/20060513) 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: Re: [gentoo-science] Quantum ESPRESSO References: <4487F396.5040905@centrum.cz> In-Reply-To: <4487F396.5040905@centrum.cz> X-Enigmail-Version: 0.94.0.0 Content-Type: multipart/signed; micalg=pgp-sha1; protocol="application/pgp-signature"; boundary="------------enig0E921CC5B3BABC35560EDD20" X-Archives-Salt: 607795de-e3ce-4681-ad1a-8c3fb098e740 X-Archives-Hash: 35170d8bf50f26f3c401d349bfd83028 This is an OpenPGP/MIME signed message (RFC 2440 and 3156) --------------enig0E921CC5B3BABC35560EDD20 Content-Type: text/plain; charset=ISO-8859-2 Content-Transfer-Encoding: quoted-printable Honza Mach=E1=E8ek wrote: > 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: Great! > 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= =2E In theory my ebuild should work at least up through src_compile(), I think src_install() is still broken. It's a work in progress. > 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 err= or. Yep. I've filed a gcc bug for this -- http://gcc.gnu.org/bugzilla/show_bug.cgi?id=3D27889 -- although I think there is another ICE in the same file. > 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?). Nah, needs to be a separate package since it's distributed separately and so forth, like gnat. I wouldn't mind having an ebuild for this, thoug= h. > 4. Looked at the gcc-4.1.1 ebuild. Heavy reading due to heavy use of th= e > toolchain eclass. Gave up ebuild adaptation. >=20 > 5. Tried manual compilation of g95 with gcc-4.1.1 sources. Failed. >=20 > 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 abi= lity. Agreed, standalone is the way to go. Surprised it's broken on gcc 4.1. > 7. Tried manual compilation of ESPRESSO (./configure && make all). > Mostly worked, only tools crashed due to metadyn_pp referencing > undefined pgopen_. >=20 > 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. >=20 > 9. Mangled pgplot ebuild to recognize g95 and tried emerging again. g95= > was not accepted by the ebuild. You need to edit fortran.eclass to recognize g95. There are three places in there where you need to add a g95 bit -- two case statements and one OR list of all the compilers like "g95|g77|gfortran|icc|ifort" or so. > 10. Mangled pgplot ebuild to recognize gfortran and tried emerging > again. Failed due to syntax errors in arguments supplied to GRGI0[1-6] > functions. pgplot can't work with gfortran now because gfortran doesn't recognize %VAL -- http://gcc.gnu.org/bugzilla/show_bug.cgi?id=3D23060. I've got a pgplot patch that deals with most of the rest of the issues, but waiting on that. > 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.= Ah, see you figured out the eclass here.. > 12. Tried manual compilation of ESPRESSO (./configure && make all). > Mostly worked, only tools crashed due to metadyn_pp referencing > undefined pgopen_. >=20 > 13. Grepped the ESPRESSO source tree for pgopen_, found nothing. Greppe= d > for pgplot. Found libraries configuration mentioned in > pwtools/metadyn_pp.f90, but nowhere in makefiles or the configure scrip= t. Try 'grep -i pgopen -r .' in the espresso source. The underscore isn't in the Fortran, that's added by the compiler/linker. > 14. Edited make.sys, added -D__PGPLOT to DFLAGS and ``-lm -lc -lpgplot > -lX11'' to LIBS. Compiled successfuly. >=20 > 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 promis= e > that. I just don't think we can add it to the tree until a few more gfortran bugs get fixed. Thanks, Donnie --------------enig0E921CC5B3BABC35560EDD20 Content-Type: application/pgp-signature; name="signature.asc" Content-Description: OpenPGP digital signature Content-Disposition: attachment; filename="signature.asc" -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.3 (GNU/Linux) Comment: Using GnuPG with Mozilla - http://enigmail.mozdev.org iD8DBQFEiDtTXVaO67S1rtsRArekAJ9TZIkcYFD/eXL9qi2Xsy/zHnBJuACfW0PI NhF2JbEhJfdB1khV6UoEaYM= =pQiE -----END PGP SIGNATURE----- --------------enig0E921CC5B3BABC35560EDD20-- -- gentoo-science@gentoo.org mailing list