diff options
author | Andrew Savchenko <bircoph@gmail.com> | 2012-06-19 20:26:22 +0400 |
---|---|---|
committer | Andrew Savchenko <bircoph@gmail.com> | 2012-06-19 20:26:22 +0400 |
commit | 747cf44d61a7dcd268287019705c46655e157eed (patch) | |
tree | 189acf319dd58333bc0dcaa815affe7a138a916d /sci-physics | |
parent | Merge branch 'master' of git+ssh://git.overlays.gentoo.org/proj/sci (diff) | |
parent | Merge branch 'master' of git+ssh://git.overlays.gentoo.org/proj/sci (diff) | |
download | sci-747cf44d61a7dcd268287019705c46655e157eed.tar.gz sci-747cf44d61a7dcd268287019705c46655e157eed.tar.bz2 sci-747cf44d61a7dcd268287019705c46655e157eed.zip |
Merge branch 'master' of git+ssh://git.overlays.gentoo.org/proj/sci
Diffstat (limited to 'sci-physics')
-rw-r--r-- | sci-physics/abinit/ChangeLog | 6 | ||||
-rw-r--r-- | sci-physics/abinit/Manifest | 2 | ||||
-rw-r--r-- | sci-physics/abinit/abinit-6.12.3-r2.ebuild (renamed from sci-physics/abinit/abinit-6.12.3-r1.ebuild) | 8 | ||||
-rw-r--r-- | sci-physics/elk/Manifest | 4 | ||||
-rw-r--r-- | sci-physics/elk/elk-1.3.15.ebuild | 104 | ||||
-rw-r--r-- | sci-physics/elk/elk-1.4.18.ebuild | 115 | ||||
-rw-r--r-- | sci-physics/elk/elk-1.4.5.ebuild | 104 |
7 files changed, 13 insertions, 330 deletions
diff --git a/sci-physics/abinit/ChangeLog b/sci-physics/abinit/ChangeLog index c3f4e3d01..a57ab4c07 100644 --- a/sci-physics/abinit/ChangeLog +++ b/sci-physics/abinit/ChangeLog @@ -2,6 +2,12 @@ # Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 # $Header: $ +*abinit-6.12.3-r2 (19 Jun 2012) + + 19 Jun 2012; Honza Macháček <Hloupy.Honza@centrum.cz> + -abinit-6.12.3-r1.ebuild, +abinit-6.12.3-r2.ebuild: + Reflect the split of the fortran interface out of sci-libs/netcdf + 22 May 2012; Justin Lecher <jlec@gentoo.org> abinit-6.12.3-r1.ebuild, metadata.xml: Add missing eutils.eclass diff --git a/sci-physics/abinit/Manifest b/sci-physics/abinit/Manifest index 692c589e7..6392e02a1 100644 --- a/sci-physics/abinit/Manifest +++ b/sci-physics/abinit/Manifest @@ -1 +1 @@ -DIST abinit-6.12.3.tar.gz 58483889 SHA256 243a3832e258d12998d9d188141cfedeabdbfee9867c1951d7f27b8230dec5e9 SHA512 a14764c7c031890ea9cb64dd8fb439959fae4b50d59985bd2e9d9c12a06f71f92491c015c64c7273b4089cd57934a699f3d4c3c2f377032cbd655aa887241a65 WHIRLPOOL caa5e8159fac7353ee87663f195419acee57246f1a3015941368ed026c3a15a07cf135dbf57fc8a81f0cdd24c042af1ccc1c63e3e20a73042d3462530bd5b904 +DIST abinit-6.12.3.tar.gz 58483889 RMD160 d2a1009af7eaafa9d4df99aa6e98e35faa644931 SHA1 ab7bca747639902d586155cb5d335595e3b2b1dc SHA256 243a3832e258d12998d9d188141cfedeabdbfee9867c1951d7f27b8230dec5e9 SHA512 a14764c7c031890ea9cb64dd8fb439959fae4b50d59985bd2e9d9c12a06f71f92491c015c64c7273b4089cd57934a699f3d4c3c2f377032cbd655aa887241a65 WHIRLPOOL caa5e8159fac7353ee87663f195419acee57246f1a3015941368ed026c3a15a07cf135dbf57fc8a81f0cdd24c042af1ccc1c63e3e20a73042d3462530bd5b904 diff --git a/sci-physics/abinit/abinit-6.12.3-r1.ebuild b/sci-physics/abinit/abinit-6.12.3-r2.ebuild index fc22cebc3..a5c883145 100644 --- a/sci-physics/abinit/abinit-6.12.3-r1.ebuild +++ b/sci-physics/abinit/abinit-6.12.3-r2.ebuild @@ -16,15 +16,17 @@ KEYWORDS="~amd64 ~x86" IUSE="cuda cuda-double -debug +etsf_io +fftw +fftw-threads +fox gsl gui +hdf5 libabinit mpi +netcdf python -test +threads -vdwxc" RDEPEND="~sci-libs/bigdft-1.6_pre1 - sci-libs/etsf_io =sci-libs/libxc-1*[fortran] sci-physics/atompaw[libxc] etsf_io? ( sci-libs/etsf_io ) fox? ( >=sci-libs/fox-4.1.2-r1[sax] ) netcdf? ( - sci-libs/netcdf[fortran] + || ( + sci-libs/netcdf[fortran] + sci-libs/netcdf-fortran + ) hdf5? ( - sci-libs/netcdf[fortran,hdf5] + sci-libs/netcdf[hdf5] ) ) hdf5? ( sci-libs/hdf5[fortran] ) diff --git a/sci-physics/elk/Manifest b/sci-physics/elk/Manifest index 88dada474..b0fce503e 100644 --- a/sci-physics/elk/Manifest +++ b/sci-physics/elk/Manifest @@ -1,3 +1 @@ -DIST elk-1.3.15.tgz 1834503 SHA256 6e35d1c3830aeea0fe8016e25efa9debddf0e4bd90fe910520a35608a2f81fcf SHA512 ab18c78616447abdba7f82215cf4f10ff26eb052e47693266246b60225a436d21f877f5b97f3e62c0a91d2fd267c9e017568e8d5a80e488835d279d40494cf1e WHIRLPOOL fc528cd6e4ca0ddf42996f126aaf7cbcfd65bcc284faa9c0eb84cfcfae1055f20c83aea8dc5bfefeacb4a29755980f5881ec2fecc8fabb648727780c4b1cea93 -DIST elk-1.4.18.tgz 1855415 SHA256 14df155a254f0d0b24ffa98a3a25130e1d55f652f87f1f20781bb45169a20281 SHA512 5bcae5903aa6880fa43000f43e2f6aa5789d20107e0dd004104821ae39e663d6e1172441c3b69ed214fde0b6786450be16800116c0905288afc6fe644c8190a2 WHIRLPOOL dddb8b8eca84484bb1d8906ba2ccb53659509f7624b7b602758857c81a3f7e81c0f8b17037c1dd760c5bfdec47e57e92d88fda956bd1c2feb3b41bb42812925f -DIST elk-1.4.5.tgz 1851444 SHA256 84c4e19da2d76e25f0395343aa6e7ecf883a9a870d7b1c5256336e220d1fbb9e SHA512 8fdecd8e11a3b53e8a891963d005d753cc06ce3c5a27cfe581f2d64edbdc620551d3a91ce31be31f50fce60beb402562662b215e64ae93e4dbf507910c31e7be WHIRLPOOL 6b463d09e1e5e75e8a08cc9224a57d93927ce1998653872ace73f1bf9bcf3f9a826eaea284319bdb85f19da16523430ff62496171a4b497103f8bc45d00e2391 +DIST elk-1.4.22.tgz 1866287 RMD160 6af2454eab5af8c97447529db013fbfe41f016fb SHA1 71c9b7cb1ddd5ab2eb7d83e1922a7aa0c2e0ddf8 SHA256 bc8b70d42924c77c9328418bd133285fe2caa4a8b14df4016eecff647ca15ec0 SHA512 7c512ac6738d883fe1c76964c8bd44ef34269f58f4c8d97ee63949949391ef1040dc41cf0c2626492f6c94649b696d7b67eef8292011dc75c312a3c4b3c21da6 WHIRLPOOL 392804fc8bc3ce03208f9689ffafb84d4a61b343d80c09d787adcd23f25ab824dd0d6477bbad41ae2e61ab0acc9cba2f965d6c576fd7d69bb976fd29770e4a1d diff --git a/sci-physics/elk/elk-1.3.15.ebuild b/sci-physics/elk/elk-1.3.15.ebuild deleted file mode 100644 index ac1b4f0e6..000000000 --- a/sci-physics/elk/elk-1.3.15.ebuild +++ /dev/null @@ -1,104 +0,0 @@ -# Copyright 1999-2011 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI="3" - -inherit eutils fortran-2 multilib toolchain-funcs - -DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW) code with advanced features." -HOMEPAGE="http://elk.sourceforge.net/" -SRC_URI="mirror://sourceforge/${PN}/${P}.tgz" - -LICENSE="GPL-3" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="-debug lapack libxc mpi openmp test" - -RDEPEND="lapack? ( virtual/blas - virtual/lapack ) - libxc? ( =sci-libs/libxc-1*[fortran] ) - mpi? ( virtual/mpi )" -DEPEND="${RDEPEND} - dev-util/pkgconfig" - -pkg_setup() { - fortran-2_pkg_setup - if use openmp; then - tc-has-openmp || \ - die "Please select an openmp capable compiler like gcc[openmp]" - fi -} - -src_prepare() { - if use libxc; then - sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" - fi - if use mpi; then - sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" - fi -} - -src_configure() { - if use mpi; then - MY_FC="mpif90" - MY_CC="mpicc" - MY_CXX="mpic++" - else - MY_FC="$(tc-getFC)" - MY_CC="$(tc-getCC)" - MY_CXX="$(tc-getCXX)" - fi - if use openmp; then - MY_FC="${MY_FC} -fopenmp" - MY_CC="${MY_CC} -fopenmp" - MY_CXX="${MY_CXX} -fopenmp" - fi - MY_FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O3 -funroll-loops -ffast-math}}" - MY_FCFLAGS="${MY_FCFLAGS} -I/usr/include -I/usr/$(get_libdir)/finclude" - MY_CFLAGS="${CFLAGS:- -O3 -funroll-loops -ffast-math}" - MY_CXXFLAGS="${CXXFLAGS:- ${CFLAGS:- -O3 -funroll-loops -ffast-math}}" - echo "MAKE = make" > make.inc - echo "F90 = $MY_FC" >> make.inc - echo "F90_OPTS = $MY_FCFLAGS" >> make.inc - echo "F77 = $MY_FC" >> make.inc - echo "F77_OPTS = $MY_FCFLAGS" >> make.inc - echo "CC = ${MY_CC}" >> make.inc - echo "CXX = ${MY_CXX}" >> make.inc - echo "CFLAGS = ${MY_CFLAGS}" >> make.inc - echo "CXXFLAGS = ${MY_CXXFLAGS}" >> make.inc - echo "LD = $(tc-getLD)" >> make.inc - echo "AR = ar" >> make.inc - echo "LIB_SYS = " >> make.inc - if use lapack; then - echo "LIB_LPK = $(pkg-config --libs lapack)" >> make.inc - else - echo "LIB_LPK = lapack.a blas.a" >> make.inc - fi - echo "LIB_FFT = fftlib.a" >> make.inc - if use libxc; then - echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc - echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc - fi -} - -src_compile() { - emake -j1 || die "make failed" -} - -src_test() { - emake test -} - -src_install() { - dobin src/elk src/eos/eos src/spacegroup/spacegroup utilities/elk-bands - dodoc README - for doc in docs/*; do - dodoc $doc - done - insinto /usr/share/${P} - doins -r species - doins -r utilities - doins -r examples - doins -r tests -} diff --git a/sci-physics/elk/elk-1.4.18.ebuild b/sci-physics/elk/elk-1.4.18.ebuild deleted file mode 100644 index 27b3f3af5..000000000 --- a/sci-physics/elk/elk-1.4.18.ebuild +++ /dev/null @@ -1,115 +0,0 @@ -# Copyright 1999-2012 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI="4" - -inherit eutils fortran-2 multilib toolchain-funcs - -DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW) code with advanced features." -HOMEPAGE="http://elk.sourceforge.net/" -SRC_URI="mirror://sourceforge/${PN}/${P}.tgz" - -LICENSE="GPL-3" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="-debug lapack libxc mpi openmp perl test" - -RDEPEND="lapack? ( virtual/blas - virtual/lapack ) - libxc? ( =sci-libs/libxc-1*[fortran] ) - mpi? ( virtual/mpi )" -DEPEND="${RDEPEND} - perl? ( dev-lang/perl ) - dev-util/pkgconfig" - -DOCS=( README ) - -FORTRAN_STANDARD=90 - -pkg_setup() { - # fortran-2.eclass does not handle mpi wrappers - if use mpi; then - export FC="mpif90" - export F77="mpif77" - export CC="mpicc" - export CXX="mpic++" - else - tc-export FC F77 CC CXX - fi - - if use openmp; then - FORTRAN_NEED_OPENMP=1 - fi - - fortran-2_pkg_setup - - if use openmp; then - export FC="${FC} -fopenmp" - export F77="${F77} -fopenmp" - export CC="${CC} -fopenmp" - export CXX="${CXX} -fopenmp" - fi -} - -src_prepare() { - if use libxc; then - sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" - fi - if use mpi; then - sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" - fi -} - -src_configure() { - FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O3 -funroll-loops -ffast-math}}" - FCFLAGS="${FCFLAGS} -I/usr/include -I/usr/$(get_libdir)/finclude" - CFLAGS="${CFLAGS:- -O3 -funroll-loops -ffast-math}" - CXXFLAGS="${CXXFLAGS:- ${CFLAGS}}" - export FCFLAGS CFLAGS CXXFLAGS - echo "MAKE = make" > make.inc - echo "F90 = $FC" >> make.inc - echo "F90_OPTS = $FCFLAGS" >> make.inc - echo "F77 = $FC" >> make.inc - echo "F77_OPTS = $FCFLAGS" >> make.inc - echo "CC = ${CC}" >> make.inc - echo "CXX = ${CXX}" >> make.inc - echo "CFLAGS = ${CFLAGS}" >> make.inc - echo "CXXFLAGS = ${CXXFLAGS}" >> make.inc - echo "LD = $(tc-getLD)" >> make.inc - echo "AR = ar" >> make.inc - echo "LIB_SYS = " >> make.inc - if use lapack; then - echo "LIB_LPK = $(pkg-config --libs lapack)" >> make.inc - else - echo "LIB_LPK = lapack.a blas.a" >> make.inc - fi - echo "LIB_FFT = fftlib.a" >> make.inc - if use libxc; then - echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc - echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc - fi -} - -src_compile() { - emake -j1 || die "make failed" -} - -src_test() { - emake test -} - -src_install() { - dobin src/elk src/protex src/eos/eos src/spacegroup/spacegroup - dobin utilities/elk-bands - use perl && dobin utilities/xps_exc.pl utilities/se.pl - dodoc README - for doc in docs/*; do - dodoc $doc - done - insinto /usr/share/${P} - doins -r species - doins -r utilities - doins -r examples - doins -r tests -} diff --git a/sci-physics/elk/elk-1.4.5.ebuild b/sci-physics/elk/elk-1.4.5.ebuild deleted file mode 100644 index ac1b4f0e6..000000000 --- a/sci-physics/elk/elk-1.4.5.ebuild +++ /dev/null @@ -1,104 +0,0 @@ -# Copyright 1999-2011 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI="3" - -inherit eutils fortran-2 multilib toolchain-funcs - -DESCRIPTION="All-electron full-potential linearised augmented-plane wave (FP-LAPW) code with advanced features." -HOMEPAGE="http://elk.sourceforge.net/" -SRC_URI="mirror://sourceforge/${PN}/${P}.tgz" - -LICENSE="GPL-3" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="-debug lapack libxc mpi openmp test" - -RDEPEND="lapack? ( virtual/blas - virtual/lapack ) - libxc? ( =sci-libs/libxc-1*[fortran] ) - mpi? ( virtual/mpi )" -DEPEND="${RDEPEND} - dev-util/pkgconfig" - -pkg_setup() { - fortran-2_pkg_setup - if use openmp; then - tc-has-openmp || \ - die "Please select an openmp capable compiler like gcc[openmp]" - fi -} - -src_prepare() { - if use libxc; then - sed -i -e's/^\(SRC_libxc =\)/#\1/' "${S}/src/Makefile" - fi - if use mpi; then - sed -i -e's/^\(SRC_mpi =\)/#\1/' "${S}/src/Makefile" - fi -} - -src_configure() { - if use mpi; then - MY_FC="mpif90" - MY_CC="mpicc" - MY_CXX="mpic++" - else - MY_FC="$(tc-getFC)" - MY_CC="$(tc-getCC)" - MY_CXX="$(tc-getCXX)" - fi - if use openmp; then - MY_FC="${MY_FC} -fopenmp" - MY_CC="${MY_CC} -fopenmp" - MY_CXX="${MY_CXX} -fopenmp" - fi - MY_FCFLAGS="${FCFLAGS:- ${FFLAGS:- -O3 -funroll-loops -ffast-math}}" - MY_FCFLAGS="${MY_FCFLAGS} -I/usr/include -I/usr/$(get_libdir)/finclude" - MY_CFLAGS="${CFLAGS:- -O3 -funroll-loops -ffast-math}" - MY_CXXFLAGS="${CXXFLAGS:- ${CFLAGS:- -O3 -funroll-loops -ffast-math}}" - echo "MAKE = make" > make.inc - echo "F90 = $MY_FC" >> make.inc - echo "F90_OPTS = $MY_FCFLAGS" >> make.inc - echo "F77 = $MY_FC" >> make.inc - echo "F77_OPTS = $MY_FCFLAGS" >> make.inc - echo "CC = ${MY_CC}" >> make.inc - echo "CXX = ${MY_CXX}" >> make.inc - echo "CFLAGS = ${MY_CFLAGS}" >> make.inc - echo "CXXFLAGS = ${MY_CXXFLAGS}" >> make.inc - echo "LD = $(tc-getLD)" >> make.inc - echo "AR = ar" >> make.inc - echo "LIB_SYS = " >> make.inc - if use lapack; then - echo "LIB_LPK = $(pkg-config --libs lapack)" >> make.inc - else - echo "LIB_LPK = lapack.a blas.a" >> make.inc - fi - echo "LIB_FFT = fftlib.a" >> make.inc - if use libxc; then - echo "LIB_XC = -L/usr/$(get_libdir) -lxc" >> make.inc - echo "SRC_libxc = libxc_funcs.f90 libxc.f90 libxcifc.f90" >>make.inc - fi -} - -src_compile() { - emake -j1 || die "make failed" -} - -src_test() { - emake test -} - -src_install() { - dobin src/elk src/eos/eos src/spacegroup/spacegroup utilities/elk-bands - dodoc README - for doc in docs/*; do - dodoc $doc - done - insinto /usr/share/${P} - doins -r species - doins -r utilities - doins -r examples - doins -r tests -} |