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author | Honza Macháček <Hloupy.Honza@centrum.cz> | 2011-12-14 14:24:36 +0100 |
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committer | Honza Macháček <Hloupy.Honza@centrum.cz> | 2011-12-14 14:24:36 +0100 |
commit | 3f27ec4bd917aa7c310ded708f1aaa041ba4bb61 (patch) | |
tree | cba4b1855b670661ef544e30998d661010e870bf | |
parent | media-gfx/librecad: version bump to 2.0.0_alpha1 (diff) | |
download | sci-3f27ec4bd917aa7c310ded708f1aaa041ba4bb61.tar.gz sci-3f27ec4bd917aa7c310ded708f1aaa041ba4bb61.tar.bz2 sci-3f27ec4bd917aa7c310ded708f1aaa041ba4bb61.zip |
sci-physics/abinit updated to 6.10.3, sci-libs/bigdft to 1.2.0.5, and sci-libs/libxc to 1.1.0
-rw-r--r-- | sci-libs/bigdft/ChangeLog | 8 | ||||
-rw-r--r-- | sci-libs/bigdft/Manifest | 7 | ||||
-rw-r--r-- | sci-libs/bigdft/bigdft-1.2.0.2.ebuild | 2 | ||||
-rw-r--r-- | sci-libs/bigdft/bigdft-1.2.0.5.ebuild | 86 | ||||
-rw-r--r-- | sci-libs/bigdft/files/bigdft-1.2.0.5-0001.patch | 13 | ||||
-rw-r--r-- | sci-libs/libxc/ChangeLog | 5 | ||||
-rw-r--r-- | sci-libs/libxc/Manifest | 14 | ||||
-rw-r--r-- | sci-libs/libxc/libxc-1.1.0.ebuild | 50 | ||||
-rw-r--r-- | sci-physics/abinit/ChangeLog | 8 | ||||
-rw-r--r-- | sci-physics/abinit/Manifest | 8 | ||||
-rw-r--r-- | sci-physics/abinit/abinit-6.10.3.ebuild (renamed from sci-physics/abinit/abinit-6.8.1.ebuild) | 83 | ||||
-rw-r--r-- | sci-physics/abinit/metadata.xml | 5 |
12 files changed, 257 insertions, 32 deletions
diff --git a/sci-libs/bigdft/ChangeLog b/sci-libs/bigdft/ChangeLog index 49be94c5e..74f12e7c3 100644 --- a/sci-libs/bigdft/ChangeLog +++ b/sci-libs/bigdft/ChangeLog @@ -2,6 +2,14 @@ # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*bigdft-1.2.0.5 (14 Dec 2011) + + 14 Dec 2011; Honza Macháček <Hloupy.Honza@centrum.cz> + bigdft-1.2.0.2.ebuild, +bigdft-1.2.0.5.ebuild, + +files/bigdft-1.2.0.5-0001.patch: + Version bump to 1.2.0.5 for sci-physics/abinit-6.10.3; still not much + progress towards the current version (1.5.2 and 1.6-tuto) + 11 Jul 2011; Honza Macháček <Hloupy.Honza@centrum.cz> bigdft-1.2.0.2.ebuild: The MPI support, broken by fortran-2.eclass usage, made work again. diff --git a/sci-libs/bigdft/Manifest b/sci-libs/bigdft/Manifest index c4adc7f28..a4ac8f8e5 100644 --- a/sci-libs/bigdft/Manifest +++ b/sci-libs/bigdft/Manifest @@ -3,8 +3,11 @@ AUX bigdft-1.2.0.2-0002.patch 557 RMD160 caefc2a1a789f5d8a9bc0349a975cfcb5330fef AUX bigdft-1.2.0.2-0003.patch 620 RMD160 c2db417e0bf660fed15ebe79580afa9e60549497 SHA1 d12621e14c02c963937d14b12f9f5e02fdb98186 SHA256 d87ba1010e739e2d951b1a1a8208058a9c51ce28ed8e507e93ae36f215d3d237 AUX bigdft-1.2.0.2-0004.patch 833 RMD160 df98d7fcda945d11ea787b85bfaa79f457371f57 SHA1 87edef506096c8be9d7ebc951b196383abcb51a5 SHA256 2ce96234baeb63c697ca759d8ea4ccac1ac527d5de0d6c6849af06a4755246cb AUX bigdft-1.2.0.2-testH.patch 29091 RMD160 535dcd1c160863570991b26c194c707766233645 SHA1 682454d1986cc3963ee16b65f6d3a85f1642ec3a SHA256 dd7311f2ec7c4dde01131d8b22b375a74e0de73c7865172a79e83373e849fb52 +AUX bigdft-1.2.0.5-0001.patch 384 RMD160 6dbf48ed5253fd314e15cc094ea5266f2e78b2cd SHA1 277d08b6905416f86ea092795686043ecb02bf31 SHA256 8a3bc6eb8d6e455d86fcda6c03529884dc58057cf87423983a671439b9ec7afd DIST bigdft-1.2.0.2.tar.gz 944219 RMD160 fbd2fd53e4c684e560769d7aaf2ac9d17954bc62 SHA1 1a3754261c6229be17d3cecb70720fefaf843642 SHA256 3143e203879a2f8b1f05789336ceed91250960ef0681c1530868011fc16f56df +DIST bigdft-1.2.0.5.tar.gz 959834 RMD160 0adad5fbb2e89f89a34cf10735700c28a1cae3a2 SHA1 18e38558ee552535456caf346d7f27deb0c3598d SHA256 e0e6e905b21d784265f812619bfe081388e16eb385a8a502404e39a559a32a92 DIST bigdft-1.3.2.tar.gz 1370869 RMD160 6967df2a837af540149aa452166ea16e25ee7aa7 SHA1 b219b4c2b4bee5a936eadcee0ea1faeb4f78b2cb SHA256 b18234c321bee98450ea0b6a3c249480ecec66d18dadcc32a7ba0d2d019c820d -EBUILD bigdft-1.2.0.2.ebuild 2171 RMD160 e8c5ff213a9a6e24a7102abf081fc0c518f33c3e SHA1 268a045507ce74ee40921a017a4521b21479a454 SHA256 1ff082cb082c978ff8a1e67b06a72d92a0c9ba98f05725fa3b612a3a594c10d0 -MISC ChangeLog 888 RMD160 50755d78343525cc0ca8cdeafdbef47e938f2b07 SHA1 932d0a9f7389c8c6453fdbd9cd0ad5f8fe8074e4 SHA256 27e66ca6cdeafc64a532c542b4e5490db899f3cef02b9583365acda35b95cc07 +EBUILD bigdft-1.2.0.2.ebuild 2170 RMD160 c39fdb2d1d5c7879ad196d834952b1cfc67c7d8b SHA1 830cec4ae3cf9027932785aac43e4b41b867b976 SHA256 9ea9564316d01b6b00be85e8e1017d5eeaa5cd02713992954b29368b3a426980 +EBUILD bigdft-1.2.0.5.ebuild 2083 RMD160 f72a66256385fb669ab5a792917d23e6aa8b961a SHA1 a50faeebcdd354be7fade8233dd2e30646f04b1b SHA256 1e603e0b084ac4335a2de50090b8357c739e9beae2bd917503570997aaa4239d +MISC ChangeLog 1195 RMD160 f1ede026ae105c26fc94aed9864bcf93383159fc SHA1 18a0fc67059873c83a47f06b279ffe248d290df0 SHA256 146f9615165f932405dba22ce9ecc87b0a386d7a1ace7466b28de0e8c7d72131 MISC metadata.xml 268 RMD160 a08ddac9bdb423a2a25e1a855118e1c1b7b4b1c3 SHA1 80806343ce9cacc256261167cc9a463c33b8f5b1 SHA256 8dc5093d7d2cd59f19de2421464b9d6ad5dff8526ec018d33c0f22874608938a diff --git a/sci-libs/bigdft/bigdft-1.2.0.2.ebuild b/sci-libs/bigdft/bigdft-1.2.0.2.ebuild index dc03955c7..fc3d383d1 100644 --- a/sci-libs/bigdft/bigdft-1.2.0.2.ebuild +++ b/sci-libs/bigdft/bigdft-1.2.0.2.ebuild @@ -18,7 +18,7 @@ KEYWORDS="~amd64 ~x86" IUSE="cuda doc mpi test" RDEPEND=" - =sci-libs/libxc-1.0[fortran] + =sci-libs/libxc-1*[fortran] virtual/blas virtual/fortran virtual/lapack diff --git a/sci-libs/bigdft/bigdft-1.2.0.5.ebuild b/sci-libs/bigdft/bigdft-1.2.0.5.ebuild new file mode 100644 index 000000000..43b4bd9b3 --- /dev/null +++ b/sci-libs/bigdft/bigdft-1.2.0.5.ebuild @@ -0,0 +1,86 @@ +# Copyright 1999-2011 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI=3 + +inherit eutils fortran-2 toolchain-funcs + +DESCRIPTION="A DFT electronic structure code using a wavelet basis set" +HOMEPAGE="http://inac.cea.fr/L_Sim/BigDFT/" +SRC_URI=" + http://inac.cea.fr/L_Sim/BigDFT/${P}.tar.gz + http://inac.cea.fr/L_Sim/BigDFT/${PN}-1.3.2.tar.gz" + +LICENSE="GPL-3" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="cuda doc mpi test" + +RDEPEND=" + =sci-libs/libxc-1*[fortran] + virtual/blas + virtual/fortran + virtual/lapack + mpi? ( virtual/mpi ) + cuda? ( dev-util/nvidia-cuda-sdk )" +DEPEND="${RDEPEND} + dev-util/pkgconfig + >=sys-devel/autoconf-2.59 + doc? ( virtual/latex-base )" + +src_prepare() { + epatch \ + "${FILESDIR}"/${P}-0001.patch \ + "${FILESDIR}"/${PN}-1.2.0.2-testH.patch + + rm -r src/PSolver/ABINIT-common + mv ../${PN}-1.3.2/src/PSolver/ABINIT-common src/PSolver/ + sed -i -e's%@LIBXC_INCLUDE@%-I/usr/lib/finclude%g' \ + src/PSolver/ABINIT-common/Makefile.* + sed -i -e's%config\.inc%config.h%g' \ + src/PSolver/ABINIT-common/*.F90 +} + +src_configure() { + # fortran-2.eclass does not handle mpi wrappers + if use mpi; then + export FC="mpif90" + export CC="mpicc" + else + tc-export FC CC + fi + + econf \ + $(use_enable mpi) \ + --enable-libpoissonsolver \ + --enable-libbigdft \ + --enable-binaries \ + --with-moduledir=/usr/$(get_libdir)/finclude \ + --with-ext-linalg="`pkg-config --libs-only-l lapack`" \ + --with-ext-linalg-path="`pkg-config --libs-only-L lapack`" \ + --with-xc-module-path="/usr/lib/finclude" \ + $(use_enable cuda cuda-gpu) \ + $(use_with cuda cuda-path /opt/cuda) \ + $(use_with cuda lib-cutils /opt/cuda/lib) \ + FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" \ + LD="$(tc-getLD)" +} + +src_compile() { + emake -j1 HAVE_ETSF_XC=1 || die "make failed" + if use doc; then + emake HAVE_ETSF_XC=1 doc || die "make doc failed" + fi +} + +src_test() { + if use test; then + emake check + fi +} + +src_install() { + emake HAVE_ETSF_XC=1 DESTDIR="${D}" install || die "install failed" + dodoc README INSTALL ChangeLog AUTHORS NEWS || die "dodoc failed" +} diff --git a/sci-libs/bigdft/files/bigdft-1.2.0.5-0001.patch b/sci-libs/bigdft/files/bigdft-1.2.0.5-0001.patch new file mode 100644 index 000000000..32f95af52 --- /dev/null +++ b/sci-libs/bigdft/files/bigdft-1.2.0.5-0001.patch @@ -0,0 +1,13 @@ +--- bigdft-1.2.0.5/configure 2011-11-04 15:35:33.000000000 +0100 ++++ bigdft-1.2.0.5-new/configure 2011-11-19 21:06:31.000000000 +0100 +@@ -4736,6 +4736,9 @@ + "mipspro") + capitalize_module=yes + capitalize_module_ext="mod" ;; ++ "open64") ++ capitalize_module=yes ++ capitalize_module_ext="mod" ;; + *) + capitalize_module=no + capitalize_module_ext="mod" ;; + diff --git a/sci-libs/libxc/ChangeLog b/sci-libs/libxc/ChangeLog index 3b4cab98e..efe5b5583 100644 --- a/sci-libs/libxc/ChangeLog +++ b/sci-libs/libxc/ChangeLog @@ -2,6 +2,11 @@ # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*libxc-1.1.0 (14 Dec 2011) + + 14 Dec 2011; Honza Macháček <Hloupy.Honza@centrum.cz> +libxc-1.1.0.ebuild: + Version bump to 1.1.0 + 21 Jun 2011; Justin Lecher <jlec@gentoo.org> libxc-1.0.ebuild, libxc-9999.ebuild: Added fortran-2.eclass support diff --git a/sci-libs/libxc/Manifest b/sci-libs/libxc/Manifest index a05ee2553..5ca20a361 100644 --- a/sci-libs/libxc/Manifest +++ b/sci-libs/libxc/Manifest @@ -1,15 +1,7 @@ ------BEGIN PGP SIGNED MESSAGE----- -Hash: SHA1 - DIST libxc-1.0.tar.gz 502757 RMD160 0e48a6ab484d1c9f6e305dfc9c860e46c01aa330 SHA1 48a54c718bfb8784bf5e6aadf82d62ffb70bc5a2 SHA256 890544853fc8ff81d895fc973b5f1ed293f957b035301aad2d6caea1ce1efdaa +DIST libxc-1.1.0.tar.gz 543168 RMD160 a74ee2d9325f66e66711f6a121caff13342d4276 SHA1 7cafa212d38b5adafc33cf5a4ee0ac2e29c3178c SHA256 b75fb2a73a9e2d75e250cc77b71d5485c8e9b11c3b25c91899c366e217283c57 EBUILD libxc-1.0.ebuild 1162 RMD160 5674df7a4941c3b32c24244ba8ea753d7a3da1b1 SHA1 4378ca34fe816d5b05c9e2d13fa5228f5ad26367 SHA256 093d4e23b4990a1d8b5b0f651fb8f7ec47ea4220a7cb9c0d3843359dbc492c69 +EBUILD libxc-1.1.0.ebuild 1162 RMD160 5674df7a4941c3b32c24244ba8ea753d7a3da1b1 SHA1 4378ca34fe816d5b05c9e2d13fa5228f5ad26367 SHA256 093d4e23b4990a1d8b5b0f651fb8f7ec47ea4220a7cb9c0d3843359dbc492c69 EBUILD libxc-9999.ebuild 885 RMD160 13f5478d73d625aea9c382ddfeb5d18870c2fb82 SHA1 cfd09fb873970f87acc8d7a5ef3a72c403257162 SHA256 500d9aa1a88b7fdec449c387e2f95af8dc79a8f1c9921e6a0ee7d993bfaeaf01 -MISC ChangeLog 664 RMD160 540f87d17d93d72e703f2ca2c93cc91425b94be1 SHA1 2bf6bbd99b794b61e21db3a38c863d2539fa508b SHA256 448d453379d393c10f108f3a1c9784d8331744f7c522104d3d8e2dc21ce09686 +MISC ChangeLog 796 RMD160 868e720edb9a108cc390b823230db50bb19ae705 SHA1 6b74fd2a3f13e0cef295932aa5ce71457efb25b6 SHA256 1c422609161f944dcd10f95e91072c18936e8211fbc4402f303809ad01944763 MISC metadata.xml 215 RMD160 bc9c07aa91f2f175542244e4e4522a73558210a1 SHA1 facb283386de1c0b6b938cdcd4dde04d1694298b SHA256 13f32353652adbd3d934d41381cfc2cacc9e1127c508cebc73806cc1026ee80c ------BEGIN PGP SIGNATURE----- -Version: GnuPG v2.0.17 (GNU/Linux) - -iEYEARECAAYFAk4Epr8ACgkQgAnW8HDreRaSNgCeP0txCpts+nC6aVEeCQ/0JmIs -16YAnRilcdP6156yILIDeXQ+Zs+ter8O -=vszm ------END PGP SIGNATURE----- diff --git a/sci-libs/libxc/libxc-1.1.0.ebuild b/sci-libs/libxc/libxc-1.1.0.ebuild new file mode 100644 index 000000000..576307c38 --- /dev/null +++ b/sci-libs/libxc/libxc-1.1.0.ebuild @@ -0,0 +1,50 @@ +# Copyright 1999-2011 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI=3 + +inherit fortran-2 multilib toolchain-funcs + +MY_P=${P//_/-} + +DESCRIPTION="A library of exchange-correlation functionals for use in DFT" +HOMEPAGE="http://www.tddft.org/programs/octopus/wiki/index.php/Libxc/" +SRC_URI="http://www.tddft.org/programs/octopus/download/${PN}/${P}.tar.gz" + +LICENSE="LGPL-3" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="fortran" + +S="${WORKDIR}"/${MY_P} + +src_configure() { + econf \ + $(use_enable fortran) \ + FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}}" +} + +## Upstream recommends not running the test suite because it requires +## human expert interpretation to determine whether output is an error or +## expected under certain circumstances. +# src_test() { :; } + +src_compile() { + emake -j1 || die +} + +src_install() { + emake DESTDIR="${D}" install || die + + dodoc README ChangeLog AUTHORS || die + + if use fortran; then + # argument for this: --with-moduledir from etsf_io/bigdft + insinto /usr/$(get_libdir)/finclude + pushd src >/dev/null + doins *.mod || die + rm -f "${D}"/usr/include/*.mod || die + popd >/dev/null + fi +} diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog index 5fb986c34..b6b882218 100644 --- a/sci-physics/abinit/ChangeLog +++ b/sci-physics/abinit/ChangeLog @@ -2,6 +2,14 @@ # Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*abinit-6.10.3 (14 Dec 2011) + + 14 Dec 2011; Honza Macháček <Hloupy.Honza@centrum.cz> -abinit-6.8.1.ebuild, + +abinit-6.10.3.ebuild, metadata.xml: + Version bump to 6.10.3, gui use-flag added. Update of sci-libs/bigdft to 1.2.0.5 was necessary, + sci-libs/libxc updated to 1.1.0 alongside. Ebuild for abinit-6.8.1 removed, + 6.6.3 and 6.10.1 retained for now. + *abinit-6.10.1 (09 Nov 2011) 09 Nov 2011; Honza Macháček <Hloupy.Honza@centrum.cz> diff --git a/sci-physics/abinit/Manifest b/sci-physics/abinit/Manifest index 07aab8a3f..f78ef5406 100644 --- a/sci-physics/abinit/Manifest +++ b/sci-physics/abinit/Manifest @@ -2,12 +2,12 @@ AUX 6.0.3-fftw.patch 571 RMD160 b15b2905fd46a1c0f6fcc99c317b1b52a327ef12 SHA1 b5 AUX 6.2.2-change-default-directories.patch 1006 RMD160 ba252ecc7f5592f4df762716582c6e331a5e994f SHA1 4d79a7a261211c44692c09e63197261bfdb2c06e SHA256 8865966dd0d94b00443faae62b58e9938a5ba5d15bc32b59f79f815922f91c44 AUX 6.6.1-openmp.patch 19735 RMD160 6e6e42a5f030bdfb859583dd5e72ea434e980bcf SHA1 51c032ca7f52fe4e1c4afe86f2cb019166d4afbb SHA256 9568ace3732159ae395a3eef069338ded1d734becde1b8b382a58adf2f254933 DIST abinit-6.10.1.tar.gz 44363678 RMD160 44d4aaeb58fdbc81f376025dbf4c13af91e6aa4d SHA1 2fb55ab80b1a90756dd664086c3263636716ef82 SHA256 a28c76829d4230937c3a4e670cebeaf3b8e3989a532c189dddabdafe26da8c8a +DIST abinit-6.10.3.tar.gz 69158203 RMD160 5b9c9fea3d488aa5f819037e8ae0acc0a19512ef SHA1 d47b72e226d722eed3eadb30890ad534617328e3 SHA256 185c45c7c9caf5f735d841fa85b2dfc612eee81b76f905a9988b5f0994be6fb5 DIST abinit-6.6.3.tar.gz 41161321 RMD160 f9169812cfb2dc30f752bf0ab0ffc41250ea0bbb SHA1 02c9fd6abe1b73164b804b6e0b1f829ec9fd286e SHA256 fad84d3e774e3b4ba16f2a2924e60b8ba42ab21fefd89d8ce4848f9a9e03f774 -DIST abinit-6.8.1.tar.gz 43548991 RMD160 320de2b02862ba5ebf2e0ac209e4f63bf457345f SHA1 00b78334fc6f2859665a720c98cf318eed0d57b2 SHA256 6a8ff5f88ee765b8c71fc80a171c61213f1143399f3de66364d32a9560f22689 DIST abinit-6.8.2.tar.gz 43565001 RMD160 151fcd3fa3c8aad204aa01a0877b101b7faf0550 SHA1 2b96bb175e1946c48ee3a72064b08ccc1b8dbdea SHA256 7a0e8ebfce50ae18e5c4f25f9bfd534623a41985082efead918a3878464a181c EBUILD abinit-6.10.1.ebuild 6788 RMD160 878fed296ae0210a40280b125252e728975282d9 SHA1 7f6f7d8c37e3bc9cdcb92a62cfdd2af1cb334fec SHA256 8d122654453ee55124579bf7e62f61d9a0ce2c19ee9b811dc9083be66641585f +EBUILD abinit-6.10.3.ebuild 7808 RMD160 d99cfb92bfdcc7f4e2f6bb00f69e1f23f8463444 SHA1 d02e518a508067e43745f1d90a4f263c3b9b8dff SHA256 db770d965960f3afd79a81ab33a015fa08a294ffe6ab28a27c21e7733ccb926b EBUILD abinit-6.6.3.ebuild 6256 RMD160 88bf466811c42d04a57c1ddc6d3949d3ca6cdabf SHA1 3bdf27623990cb4e2131d333c6e5f690742e034a SHA256 fef385cfc374e619c12918ddcfe3c4c6e9e72eb297c1663e948eedfc2a6e675c -EBUILD abinit-6.8.1.ebuild 6256 RMD160 88bf466811c42d04a57c1ddc6d3949d3ca6cdabf SHA1 3bdf27623990cb4e2131d333c6e5f690742e034a SHA256 fef385cfc374e619c12918ddcfe3c4c6e9e72eb297c1663e948eedfc2a6e675c EBUILD abinit-6.8.2.ebuild 6788 RMD160 878fed296ae0210a40280b125252e728975282d9 SHA1 7f6f7d8c37e3bc9cdcb92a62cfdd2af1cb334fec SHA256 8d122654453ee55124579bf7e62f61d9a0ce2c19ee9b811dc9083be66641585f -MISC ChangeLog 3698 RMD160 f215bffc8661d196b89c0480721eab5e2f0b8275 SHA1 6e638b4f2f868ac76c9741d70aa1d3d0190488b9 SHA256 f2131ad5fd54ff7ca08c9bb218b273e5393b2eb282426450766552efde84d2e7 -MISC metadata.xml 1322 RMD160 116c9176cdc79df1f425a74992f1aebcdbbb3850 SHA1 1c56aa3d3c93d58fdc9d22434970175a08c90562 SHA256 72a4b2eb56651bc52a0ebeea89515dbafcd23ac065e7d9a62a433e8a4c12d5b9 +MISC ChangeLog 4061 RMD160 c16d6e755a36979fb5deb1a605c10e0d5f9c98be SHA1 7fd291dc12d46f9caa658bf619bad4d3075bd656 SHA256 d5dd3256fbc5e9e93f1fe04b558892fe453574c67bae147ca27d73b244819387 +MISC metadata.xml 1405 RMD160 d9e77bb0da99c7df51b9c1336a8df9596952ef54 SHA1 27a30b3d77a5dbdc75929f10543027053b78b684 SHA256 4fcda1d0a6170b26ad5a0d76bb1291134e178241d6a8bacf1d2d82e92fe2134b diff --git a/sci-physics/abinit/abinit-6.8.1.ebuild b/sci-physics/abinit/abinit-6.10.3.ebuild index 3799d0578..f07355891 100644 --- a/sci-physics/abinit/abinit-6.8.1.ebuild +++ b/sci-physics/abinit/abinit-6.10.3.ebuild @@ -13,11 +13,11 @@ SRC_URI="http://ftp.abinit.org/${P}.tar.gz" LICENSE="GPL-2" SLOT="0" KEYWORDS="~amd64 ~x86" -IUSE="cuda -debug +fftw +fox gsl +hdf5 mpi +netcdf python -test +threads -vdwxc" +IUSE="cuda -debug +fftw +fftw-threads +fox gsl gui +hdf5 mpi +netcdf python -test +threads -vdwxc" -RDEPEND=">=sci-libs/bigdft-1.2.0.2 +RDEPEND=">=sci-libs/bigdft-1.2.0.5 sci-libs/etsf_io - =sci-libs/libxc-1.0[fortran] + =sci-libs/libxc-1*[fortran] sci-physics/atompaw[libxc] fox? ( sci-libs/fox[dom,sax,wcml,wxml] ) netcdf? ( @@ -33,17 +33,22 @@ RDEPEND=">=sci-libs/bigdft-1.2.0.2 gsl? ( sci-libs/gsl ) fftw? ( sci-libs/fftw:3.0 - threads? ( sci-libs/fftw:3.0[threads] ) + fftw-threads? ( sci-libs/fftw:3.0[threads] ) ) mpi? ( virtual/mpi ) python? ( dev-python/numpy ) cuda? ( dev-util/nvidia-cuda-sdk )" DEPEND="${RDEPEND} dev-util/pkgconfig + gui? ( >=virtual/jdk-1.6.0 + app-arch/sharutils + sys-apps/gawk ) dev-perl/Text-Markdown" S=${WORKDIR}/${P%[a-z]} +lat1loc="" + pkg_setup() { fortran-2_pkg_setup # Doesn't compile with gcc-4.0, only >=4.1 @@ -53,6 +58,27 @@ pkg_setup() { die "Requires gcc-4.1 or newer" fi fi + if use fftw-threads && ! use fftw; then + ewarn "fftw-threads set but fftw not used, ignored" + fi + if use gui; then + lat1loc="$(locale |awk '/LC_CTYPE="(.*)"/{sub("LC_CTYPE=\"",""); sub("\" *$", ""); print}')" + if locale charmap |grep -i "\<iso885915\?\>"; then + einfo "Good, locale compatible with the GUI build" + else + ewarn "The locale ${lat1loc} incompatible with the GUI build" + if latloc=`locale -a| grep -i "\<iso885915\?\>"`; then + if echo "${latloc}" |grep -q "^fr"; then + lat1loc="$(echo "${latloc}" | grep -im1 "^fr")" + else + lat1loc="$(echo "${latloc}" | grep -im1 "iso88591")" + fi + einfo "Will use ${lat1loc} to build the GUI" + else + ewarn "No ISO-8859-1 nor ISO-8859-15 locale available, the GUI build may crash" + fi + fi + fi } src_prepare() { @@ -72,16 +98,28 @@ src_configure() { use hdf5 && netcdff_libs="${netcdff_libs} -lhdf5_fortran" local fft_flavor="fftw3" local fft_libs="-L/usr/lib" - # Since now, fftw threads support is protected by black magick. - # Anybody removes it again, dies. - # If it does not work FOR YOU, disable the "threads" USE flag - # for the package at YOUR box. If YOU want it disabled selectively - # for fftw use in abinit, you may consider adding a special USE flag - # for that. NEVER REMOVE AN OPTION FOR OTHERS, at least if there is - # anybody it works for. - if use threads; then - fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)" + # The fftw threads support is protected by black magick. + # Anybody removes it, dies. + # New USE flag "fftw-threads" was added to control usage + # of the threaded fftw variant. Since fftw-3.3 has expanded + # the paralel options by MPI and OpenMP support, analogical + # USE flags should be added to select them in future; + # unusable with previous FFTW versions, they are postponed + # for now. + if use fftw-threads; then fft_flavor="fftw3-threads" + if has_version '>=sci-libs/fftw-3.3'; then + # pkg-config files for fftw-3.3 are broken + # All the parallel stuff is separated + # from the main body of common routines, + # and -lfftw3 must be always included alongside. + # Until version 3.3 this used to be masked by + # .la files. + # Bug 384645 + fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads) $(pkg-config --libs fftw3)" + else + fft_libs="${fft_libs} $(pkg-config --libs fftw3_threads)" + fi else fft_libs="${fft_libs} $(pkg-config --libs fftw3)" fi @@ -134,10 +172,21 @@ src_configure() { CXX="${MY_CXX}" \ LD="$(tc-getLD)" \ FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O2}} ${modules} -I/usr/include" + + if use gui; then + cd gui + ./bootstrap.sh + econf + fi } src_compile() { - emake || die + emake || die "make failed" + + if use gui; then + cd gui + LC_CTYPE="${lat1loc}" emake || die "Making GUI failed" + fi } src_test() { @@ -185,6 +234,12 @@ src_install() { dodoc tests/summary_of_tests.tar || ewarn "Copying tests results failed" fi + if use gui; then + ( cd gui + emake DESTDIR="${D}" install || die "The GUI install failed" ) + fi + + dodoc KNOWN_PROBLEMS README || die "Copying doc files failed" } diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml index 834b78f09..f1e580e97 100644 --- a/sci-physics/abinit/metadata.xml +++ b/sci-physics/abinit/metadata.xml @@ -21,6 +21,11 @@ ABINIT is a package whose main program allows one to find the total energy, char </flag> </use> <use> + <flag name="gui"> + Build the abinit GUI (requires java) + </flag> +</use> +<use> <flag name="vdwxc"> Activate van der Waals exchange-correlation </flag> |