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author | 2008-04-15 01:35:55 -0700 | |
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committer | 2008-04-15 01:35:55 -0700 | |
commit | ca0bb701eed618ff8749cf0905c2948062bd06fb (patch) | |
tree | 0f11ac703ecf76bdee3dd3efbb664ee00a13d0ce /sci-physics | |
parent | octopus: Add a time-dependent density functional theory program. (diff) | |
download | dberkholz-ca0bb701eed618ff8749cf0905c2948062bd06fb.tar.gz dberkholz-ca0bb701eed618ff8749cf0905c2948062bd06fb.tar.bz2 dberkholz-ca0bb701eed618ff8749cf0905c2948062bd06fb.zip |
abinit: bump to 5.4.4.
Diffstat (limited to 'sci-physics')
-rw-r--r-- | sci-physics/abinit/ChangeLog | 42 | ||||
-rw-r--r-- | sci-physics/abinit/Manifest | 7 | ||||
-rw-r--r-- | sci-physics/abinit/abinit-5.4.4.ebuild | 98 | ||||
-rw-r--r-- | sci-physics/abinit/files/5.2.3-change-default-directories.patch | 24 | ||||
-rw-r--r-- | sci-physics/abinit/files/5.2.3-fix-64bit-detection.patch | 12 | ||||
-rw-r--r-- | sci-physics/abinit/files/5.3.4-change-default-directories.patch | 34 | ||||
-rw-r--r-- | sci-physics/abinit/files/digest-abinit-5.3.4 | 3 | ||||
-rw-r--r-- | sci-physics/abinit/metadata.xml | 9 |
8 files changed, 229 insertions, 0 deletions
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog new file mode 100644 index 0000000..5950641 --- /dev/null +++ b/sci-physics/abinit/ChangeLog @@ -0,0 +1,42 @@ +# ChangeLog for sci-physics/abinit +# Copyright 1999-2006 Gentoo Foundation; Distributed under the GPL v2 +# $Header: /var/cvsroot/gentoo-x86/sci-physics/abinit/ChangeLog,v 1.6 2006/10/18 05:08:42 dberkholz Exp $ + + 18 Oct 2006; Donnie Berkholz <dberkholz@gentoo.org>; + -files/fix-64bit-detection.patch, + -files/5.1.3-fix-blas-lapack-check.patch, + -files/change-default-directories.patch, -files/fix-test-tarball.patch, + -abinit-5.1.3.ebuild: + Pull old version. + +*abinit-5.2.3 (18 Oct 2006) + + 18 Oct 2006; Donnie Berkholz <dberkholz@gentoo.org>; + +files/5.2.3-fix-64bit-detection.patch, + +files/5.2.3-change-default-directories.patch, +abinit-5.2.3.ebuild: + Bump. This is the first release in the 5.x series officially considered + ready for production use. + + 07 Jul 2006; Donnie Berkholz <dberkholz@gentoo.org>; metadata.xml: + Update to my new email address. + + 02 Jul 2006; Luis Medinas <metalgod@gentoo.org> metadata.xml: + Update metadata to sci-physics. + + 02 Jul 2006; Luis Medinas <metalgod@gentoo.org> + +files/fix-64bit-detection.patch, + +files/5.1.3-fix-blas-lapack-check.patch, + +files/change-default-directories.patch, +files/fix-test-tarball.patch, + +metadata.xml, +abinit-5.1.3.ebuild: + Moved from sci-chemistry/abinit to sci-physics/abinit. + +*abinit-5.1.3 (04 Jun 2006) + + 04 Jun 2006; Donnie Berkholz <dberkholz@gentoo.org>; + +files/fix-64bit-detection.patch, + +files/5.1.3-fix-blas-lapack-check.patch, + +files/change-default-directories.patch, +files/fix-test-tarball.patch, + +metadata.xml, +abinit-5.1.3.ebuild: + New package for ab initio calculations using density functional theory. + Requires gcc 4.1 to build, which is why I haven't added it until now. + diff --git a/sci-physics/abinit/Manifest b/sci-physics/abinit/Manifest new file mode 100644 index 0000000..6afaba3 --- /dev/null +++ b/sci-physics/abinit/Manifest @@ -0,0 +1,7 @@ +AUX 5.2.3-change-default-directories.patch 1042 RMD160 451b0495104b3b889512cfc0eef2295674d26cfc SHA1 c498b6eaa7e90e5c4964036b49f8c3f15666b9e5 SHA256 2acb1cad4e02f3f5e1fde47cfebc51013da69b96e3da88abd5bd8c3ebde61d70 +AUX 5.2.3-fix-64bit-detection.patch 492 RMD160 286765a4fb7b06afd9f829799ad9cd9811711d32 SHA1 dc1c2691212da8b0e62407f0cfb82a83740deb86 SHA256 414be70962e0bdaffc51f9aacce5f5e171e046d7aeacf26d2706961c02501138 +AUX 5.3.4-change-default-directories.patch 1550 RMD160 02abf8695d4a12b0d47b96f86fedb05f65f0fde8 SHA1 03c6200cbe0458040cd3f7af42a28515b4c17b57 SHA256 3d493ed6f49924c248694d0de5aa0c66ac693b4ce5c6b3ce892471c9b2d7fbf7 +DIST abinit-5.4.4.tar.gz 33830853 RMD160 2b4859ef616f416c31a4bd99118010665952588e SHA1 8b6aed103990cd97b7c06a2f1554370bb43146fd SHA256 9f8edc734a5285fccd92e9f93ade465348f54f9b31ba682614f4f4ae13fcd0b5 +EBUILD abinit-5.4.4.ebuild 2304 RMD160 00ed3a73da87296718f710f431620d9087c2e001 SHA1 3ced1488bde1edaec16a1360368b16daa18bd3b2 SHA256 ddd377376f127c1e07eea96b147d85e1df290b9c2ee7cbb25608cd5ffb4bbf4f +MISC ChangeLog 1694 RMD160 3a4c84d59313427a920f339a3d97b3778f7cc304 SHA1 7708fce193031dc4b35cff0322c5734cbe52e866 SHA256 b2cb60f0a592ce4f53627dae53b1b331004d24c87d9f13bbf0f5669fa297e41e +MISC metadata.xml 256 RMD160 c1dd75e3f77bae7a5bd165e4d4592520e5f9f3ed SHA1 d0bd0c0728a0932c75ba6ee62a3610b0e948ddcf SHA256 1a34797175a4f62913c4dee4631b5141b08ddab164776021e52167239e16e1d8 diff --git a/sci-physics/abinit/abinit-5.4.4.ebuild b/sci-physics/abinit/abinit-5.4.4.ebuild new file mode 100644 index 0000000..4197a47 --- /dev/null +++ b/sci-physics/abinit/abinit-5.4.4.ebuild @@ -0,0 +1,98 @@ +# Copyright 1999-2006 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /var/cvsroot/gentoo-x86/sci-physics/abinit/abinit-5.2.3.ebuild,v 1.1 2006/10/18 04:55:28 dberkholz Exp $ + +inherit fortran toolchain-funcs + +DESCRIPTION="Find total energy, charge density and electronic structure using density functional theory" +HOMEPAGE="http://www.abinit.org/" +SRC_URI="ftp://ftp.abinit.org/pub/abinitio/ABINIT_v${PV}/${P}.tar.gz" + +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~amd64 ~ppc ~x86" +IUSE="mpi test" + +RDEPEND="virtual/blas + virtual/lapack" +DEPEND="${RDEPEND}" + +# F90 code, g77 won't work +FORTRAN="gfortran ifc" + +pkg_setup() { + fortran_pkg_setup + + # Doesn't compile with gcc-4.0, only >=4.1 + local diemsg="Requires gcc-4.1 or newer" + if [[ "${FORTRANC}" = "gfortran" ]]; then + if [[ $(gcc-major-version) -eq 4 ]] \ + && [[ $(gcc-minor-version) -lt 1 ]]; then + die "${diemsg}" + fi + fi +} + +src_unpack() { + unpack ${A} + cd "${S}" + epatch "${FILESDIR}"/5.3.4-change-default-directories.patch + epatch "${FILESDIR}"/5.2.3-fix-64bit-detection.patch + + # Yea for breaking compatibility with no ChangeLog entry in 2.60 + if has_version '>=sys-devel/autoconf-2.60'; then + sed -i -e "s:_AC_SRCPATHS:_AC_SRCDIRS:g" config/m4/init.m4 + fi + + AT_M4DIR="config/m4" eautoreconf +} + +src_compile() { + econf \ + --with-install-type=debian \ + --disable-config-file \ + --disable-library-search \ + $(use_enable mpi) \ + --with-blas-prefix=/usr \ + --with-lapack-prefix=/usr \ + --with-c-optflags="${CFLAGS}" \ + --with-fortran-optflags="${FFLAGS}" \ + --with-fortran-ldflags='-lpthread' \ + FC="${FORTRANC}" \ + CC="$(tc-getCC)" \ + || die "configure failed" + + emake || die "make failed" +} + +src_test() { + einfo "The tests take quite a while, on the order of 2-3 hours" + einfo "on a dual Athlon 2000+." + cd "${S}"/tests + emake tests_dev + + local REPORT + for REPORT in $(find . -name *fl*); do + elog "Results for ${REPORT%%/*} tests" + while read line; do + elog "${line}" + done \ + < <(cat ${REPORT} ) + done +} + +src_install() { + emake DESTDIR="${D}" install || die "install failed" + + if use test; then + dodoc tests/summary_tests.tar.gz + fi + + dodoc KNOWN_PROBLEMS README +} + +pkg_postinst() { + if use test; then + elog "The test results will be installed as summary_tests.tar.gz." + fi +} diff --git a/sci-physics/abinit/files/5.2.3-change-default-directories.patch b/sci-physics/abinit/files/5.2.3-change-default-directories.patch new file mode 100644 index 0000000..e535066 --- /dev/null +++ b/sci-physics/abinit/files/5.2.3-change-default-directories.patch @@ -0,0 +1,24 @@ +diff -urN abinit-5.2.3.orig/config/m4/init.m4 abinit-5.2.3/config/m4/init.m4 +--- abinit-5.2.3.orig/config/m4/init.m4 2006-10-17 21:09:23.000000000 -0700 ++++ abinit-5.2.3/config/m4/init.m4 2006-10-17 21:09:12.000000000 -0700 +@@ -197,9 +197,9 @@ + + debian) + abinit_prefix="/usr" +- abinit_bindir="/usr/lib/abinit/${ABINIT_VERSION_BASE}/bin" ++ abinit_bindir="/usr/bin" + abinit_datdir="/usr/share/abinit" +- abinit_docdir="/usr/share/doc/abinit/${ABINIT_VERSION_BASE}" ++ abinit_docdir="/usr/share/doc/abinit-${ABINIT_VERSION_BASE}" + abinit_libdir="/usr/lib/abinit/${ABINIT_VERSION_BASE}/lib" + abinit_incdir="/usr/include/abinit/${ABINIT_VERSION_BASE}" + abinit_mandir="/usr/share/man" +@@ -299,7 +299,7 @@ + fi + ABINIT_VERSION_BUILD=`date '+%Y%m%d'` + +- ABINIT_VERSION_BASE="${ABINIT_VERSION_MAJOR}.${ABINIT_VERSION_MINOR}" ++ ABINIT_VERSION_BASE="${ABINIT_VERSION_MAJOR}.${ABINIT_VERSION_MINOR}.${ABINIT_VERSION_MICRO}" + + dnl Make numbers available to source files + AC_DEFINE_UNQUOTED(ABINIT_VERSION,"${ABINIT_VERSION}", diff --git a/sci-physics/abinit/files/5.2.3-fix-64bit-detection.patch b/sci-physics/abinit/files/5.2.3-fix-64bit-detection.patch new file mode 100644 index 0000000..baa6d38 --- /dev/null +++ b/sci-physics/abinit/files/5.2.3-fix-64bit-detection.patch @@ -0,0 +1,12 @@ +diff -urN abinit-5.2.3.orig/config/m4/init.m4 abinit-5.2.3/config/m4/init.m4 +--- abinit-5.2.3.orig/config/m4/init.m4 2006-10-17 21:05:17.000000000 -0700 ++++ abinit-5.2.3/config/m4/init.m4 2006-10-17 21:07:10.000000000 -0700 +@@ -39,7 +39,7 @@ + alpha*|powerpc*) + abi_cpu_model="${target_cpu}" + abi_cpu_64bits=`echo "${abi_cpu_model}" | grep '64$'` +- if test abi_cpu_64bits = ""; then ++ if test "${abi_cpu_64bits}" = ""; then + abi_cpu_64bits="no" + abi_cpu_bits="32" + else diff --git a/sci-physics/abinit/files/5.3.4-change-default-directories.patch b/sci-physics/abinit/files/5.3.4-change-default-directories.patch new file mode 100644 index 0000000..1bbbd15 --- /dev/null +++ b/sci-physics/abinit/files/5.3.4-change-default-directories.patch @@ -0,0 +1,34 @@ +diff -urN abinit-5.3.4.orig/config/m4/init.m4 abinit-5.3.4/config/m4/init.m4 +--- abinit-5.3.4.orig/config/m4/init.m4 2007-05-08 23:23:04.000000000 -0700 ++++ abinit-5.3.4/config/m4/init.m4 2007-05-08 23:25:19.000000000 -0700 +@@ -207,14 +207,14 @@ + fi + + dnl Set-up all directory names +- abinit_bindir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/bin" +- abinit_chkdir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/tests" ++ abinit_bindir="${abinit_prefix}/bin" ++ abinit_chkdir="${abinit_prefix}/share/abinit/tests" + abinit_datdir="${abinit_prefix}/abinit" +- abinit_docdir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/doc" +- abinit_incdir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/include" +- abinit_libdir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/lib" +- abinit_mandir="${abinit_prefix}/abinit/man" +- abinit_rundir="${abinit_prefix}/abinit/bin" ++ abinit_docdir="${abinit_prefix}/share/doc/abinit-${ABINIT_VERSION_BASE}" ++ abinit_incdir="${abinit_prefix}/include" ++ abinit_libdir="${abinit_prefix}/lib" ++ abinit_mandir="${abinit_prefix}/share/man/man" ++ abinit_rundir="${abinit_prefix}/bin" + abinit_wwwdir="${abinit_prefix}/abinit/${ABINIT_VERSION_BASE}/www" + + dnl Substitute all variables +@@ -288,7 +288,7 @@ + fi + ABINIT_VERSION_BUILD=`date '+%Y%m%d'` + +- ABINIT_VERSION_BASE="${ABINIT_VERSION_MAJOR}.${ABINIT_VERSION_MINOR}" ++ ABINIT_VERSION_BASE="${ABINIT_VERSION_MAJOR}.${ABINIT_VERSION_MINOR}.${ABINIT_VERSION_MICRO}" + + dnl Make numbers available to source files + AC_DEFINE_UNQUOTED(ABINIT_VERSION,"${ABINIT_VERSION}", diff --git a/sci-physics/abinit/files/digest-abinit-5.3.4 b/sci-physics/abinit/files/digest-abinit-5.3.4 new file mode 100644 index 0000000..1c975d2 --- /dev/null +++ b/sci-physics/abinit/files/digest-abinit-5.3.4 @@ -0,0 +1,3 @@ +MD5 29597bf246d42a3c12c38c3b66aa62a5 abinit-5.3.4.tar.gz 28292542 +RMD160 7a4bf36e755d56ab8b85f0a609b847c582ff38c9 abinit-5.3.4.tar.gz 28292542 +SHA256 5f173483d798c99687d3706f110a98c7d4d8639e4222e7e3fb628d7cc6bf9ea1 abinit-5.3.4.tar.gz 28292542 diff --git a/sci-physics/abinit/metadata.xml b/sci-physics/abinit/metadata.xml new file mode 100644 index 0000000..56668dc --- /dev/null +++ b/sci-physics/abinit/metadata.xml @@ -0,0 +1,9 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> +<herd>sci-physics</herd> +<maintainer> +<email>dberkholz@gentoo.org</email> +<name>Donnie Berkholz</name> +</maintainer> +</pkgmetadata> |