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author | 2009-03-15 00:54:54 -0700 | |
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committer | 2009-03-15 00:54:54 -0700 | |
commit | 0c113455e278811b28ff699c0ad9a766b3a01e46 (patch) | |
tree | 5d32f9e99b7d915128be35d9b905e3e46eb62c2b /sci-physics | |
parent | Add some dependencies of abinit, split out from bundled plugins. (diff) | |
download | dberkholz-0c113455e278811b28ff699c0ad9a766b3a01e46.tar.gz dberkholz-0c113455e278811b28ff699c0ad9a766b3a01e46.tar.bz2 dberkholz-0c113455e278811b28ff699c0ad9a766b3a01e46.zip |
abinit: WIP on 5.7.3 (#249493). Doesn't even build.
Diffstat (limited to 'sci-physics')
-rw-r--r-- | sci-physics/abinit/Manifest | 3 | ||||
-rw-r--r-- | sci-physics/abinit/abinit-5.7.3.ebuild | 90 | ||||
-rw-r--r-- | sci-physics/abinit/files/5.3.4-change-default-directories.patch | 34 |
3 files changed, 127 insertions, 0 deletions
diff --git a/sci-physics/abinit/Manifest b/sci-physics/abinit/Manifest new file mode 100644 index 0000000..6be3462 --- /dev/null +++ b/sci-physics/abinit/Manifest @@ -0,0 +1,3 @@ +AUX 5.3.4-change-default-directories.patch 1550 RMD160 02abf8695d4a12b0d47b96f86fedb05f65f0fde8 SHA1 03c6200cbe0458040cd3f7af42a28515b4c17b57 SHA256 3d493ed6f49924c248694d0de5aa0c66ac693b4ce5c6b3ce892471c9b2d7fbf7 +DIST abinit-5.7.3.tar.gz 31683174 RMD160 e2a6094a0034b9ccedac845be86b2f85b188f300 SHA1 94410b006038d55531a1d352df63ba7cb0680da9 SHA256 caac56530ceaa5e16326fd4407adcd0b1aede07ded51017f3eb6a6a3696c2867 +EBUILD abinit-5.7.3.ebuild 1962 RMD160 373ad604580ca5598fffd03d88e2e7d81aaa02ae SHA1 8321a10e3049fe282d0720a926cdc4211cbc20d5 SHA256 503bcc13c56f9258312b03e7c47b746445bc31191d7eb3dac58de2d6ce08d21d diff --git a/sci-physics/abinit/abinit-5.7.3.ebuild b/sci-physics/abinit/abinit-5.7.3.ebuild new file mode 100644 index 0000000..7e0f8ea --- /dev/null +++ b/sci-physics/abinit/abinit-5.7.3.ebuild @@ -0,0 +1,90 @@ +# Copyright 1999-2009 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 + +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="sci-libs/bigdft + sci-libs/etsf_io + sci-libs/fox + sci-libs/netcdf + sci-libs/wannier90 + virtual/blas + virtual/lapack + mpi? ( virtual/mpi )" +DEPEND="${RDEPEND} + " + +# F90 code, g77 won't work +FORTRAN="gfortran ifc mpif90" + +src_unpack() { + unpack ${A} + cd "${S}" + epatch "${FILESDIR}"/5.3.4-change-default-directories.patch + + eautoreconf +} + +src_compile() { + # Plugins: xmlf90 is obsoleted by fox, another plugin. + # Plugins: disable all except etsf_xc, which has no release. + econf \ + $(use_enable mpi) \ + --disable-bigdft \ + --disable-etsf_io \ + --disable-fox \ + --disable-netcdf \ + --disable-wannier90 \ + --disable-xmlf90 \ + --with-linalg-libs="-L/usr/lib -lblas -llapack" \ + --with-cc-optflags="${CFLAGS}" \ + --with-fc-optflags="${FFLAGS}" \ + --with-fc-ld-optlibs='-lpthread' \ + FC="${FORTRANC}" \ + CC="$(tc-getCC)" \ + LD="$(tc-getLD)" \ + || die "configure failed" + + if use mpi; then + emake multi || die "make multi failed" + else + emake || die "make failed" + fi +} + +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 ${REPORT} ) + done + + elog "The test results will be installed as summary_tests.tar.gz." +} + +src_install() { + emake DESTDIR="${D}" install || die "install failed" + + if use test; then + dodoc tests/summary_tests.tar.gz + fi + + dodoc KNOWN_PROBLEMS README +} 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}", |