diff options
author | Honza Macháček <Hloupy.Honza@centrum.cz> | 2011-12-14 14:24:36 +0100 |
---|---|---|
committer | Honza Macháček <Hloupy.Honza@centrum.cz> | 2011-12-14 14:24:36 +0100 |
commit | 3f27ec4bd917aa7c310ded708f1aaa041ba4bb61 (patch) | |
tree | cba4b1855b670661ef544e30998d661010e870bf /sci-libs/bigdft | |
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
Diffstat (limited to 'sci-libs/bigdft')
-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 |
5 files changed, 113 insertions, 3 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" ;; + |