A library for DFT calculations, used by sci-physic/abinit The Abinit ebuild in the tree downloads its sources and compiles the library inside its own compilation. Should have an ebuild of its own.
Created attachment 239809 [details] sci-libs/bigdft-1.2.0.2-r2.ebuild An ebuild for BigDFT usefull for sci-physics/abinit-6.0.4 Based on the work of Donnie Berkholz in his overlay, related to the bug 249493; incorporates Abinit patches.
Created attachment 239811 [details, diff] bigdft-1.2.0.2-0001.patch Patch number 1 from Abinit.
Created attachment 239813 [details, diff] bigdft-1.2.0.2-0002.patch Patch number 2 from Abinit.
Created attachment 239815 [details, diff] bigdft-1.2.0.2-0003.patch Patch number 3 from Abinit.
Created attachment 239817 [details, diff] bigdft-1.2.0.2-0004.patch Patch number 4 from Abinit.
Created attachment 239819 [details, diff] bigdft-1.2.0.2-testH.patch A patch to allow running tests.
Uses Libxc.
Hello, The Gentoo Team would like to firstly thank you for your ebuild submission. We also apologize for not being able to accommodate you in a timely manner. There are simply too many new packages. Allow me to use this opportunity to introduce you to Gentoo Sunrise. The sunrise overlay[1] is a overlay for Gentoo which we allow trusted users to commit to and all users can have ebuilds reviewed by Gentoo devs for entry into the overlay. So, the sunrise team is suggesting that you look into this and submit your ebuild to the overlay where even *you* can commit to. =) Thanks, On behalf of the Gentoo Sunrise Team, Michael. [1]: http://www.gentoo.org/proj/en/sunrise/ [2]: http://overlays.gentoo.org/proj/sunrise/wiki/SunriseFaq
Created attachment 253687 [details] bigdft-1.4.0.ebuild.patch Version bump, builds under gcc 4.5 now. Haven't tested with cuda.
This ebuild fails at my place because of the use of tc-getFC. Apparently some eclass has been removed and this is not provided any more. See the following : http://archives.gentoo.org/gentoo-science/msg_ef25aeef119aff99e4d9cd5eae435abf.xml It builds if I remove the reference to MY_FC from the ebuild.
Created attachment 260295 [details] bigdft-1.2.0.2.ebuild The current sci-libs/bigdft-1.2.0.2 ebuild I use with abinit. Now in the sci overlay. I do not upgrade to the current bigDFT version because abinit still uses this old one and is not compatible with newer ones. This, in combination with my starting to maintain the abinit & friends ebuilds in the sci overlay, caused that I've been neglecting this bug lately, as well as all the other bugs related to the abinit ebuild. The problem was probably caused by the obsolete FORTRANC variable, the current usage of tc-getFC works well, at least for me. The MY_FC variable serves to enable the MPI support.
(In reply to comment #11) > The current sci-libs/bigdft-1.2.0.2 ebuild I use with abinit. Now in the sci > overlay. MY_FC="${tc-getFC}" MY_CC="$(tc-getCC)" I think this is bogus, should be $() instead of ${}. Same problem in sci-physics/abinit-6.4.2.ebuild, line 97.
Created attachment 260403 [details] bigdft-1.2.0.2.ebuild The braces corrected. Thanks for having found the typo.
Source file was removed from the server. Actually the request http://inac.cea.fr/L_Sim/BigDFT/bigdft-1.2.0.2.tar.gz displays a list of existing files with similar names, suggesting versions 1.2.0.3 or 1.2.0.4. (and higher versions up to 1.5.2 at the moment). ebuild should be updated to the newer minor revisions.
SRC_URI is (still) outdated. Fortunately an alternative download location is a available. ebuild must be updated to use: http://archives.abinit.org/plugins/${P}.tar.gz Alternatively, the reader can manually download the source from: http://www.abinit.org/downloads/plug-in-sources
