diff options
author | 2006-10-16 23:11:58 -0700 | |
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committer | 2006-10-16 23:11:58 -0700 | |
commit | 0e39a961dc87550f0f95f962080891e58f37bbd1 (patch) | |
tree | 3fb87c1ad2218a69a2f265af24b8152b81f17f04 /sci-physics | |
parent | Delete local git and toolchain-binutils eclasses. (diff) | |
download | dberkholz-0e39a961dc87550f0f95f962080891e58f37bbd1.tar.gz dberkholz-0e39a961dc87550f0f95f962080891e58f37bbd1.tar.bz2 dberkholz-0e39a961dc87550f0f95f962080891e58f37bbd1.zip |
(#122894) Get beginnings of CAMPOS ebuilds. Dacapo still broken, others work.
Diffstat (limited to 'sci-physics')
-rw-r--r-- | sci-physics/campos-asap/Manifest | 8 | ||||
-rw-r--r-- | sci-physics/campos-asap/campos-asap-2.14.ebuild | 65 | ||||
-rw-r--r-- | sci-physics/campos-asap/files/digest-campos-asap-2.14 | 3 | ||||
-rw-r--r-- | sci-physics/campos-ase/Manifest | 12 | ||||
-rw-r--r-- | sci-physics/campos-ase/campos-ase-2.3.ebuild | 41 | ||||
-rw-r--r-- | sci-physics/campos-ase/files/digest-campos-ase-2.3 | 3 | ||||
-rw-r--r-- | sci-physics/campos-ase/metadata.xml | 14 | ||||
-rw-r--r-- | sci-physics/campos-dacapo-bin-2.7.7-r1.ebuild | 38 | ||||
-rw-r--r-- | sci-physics/campos-dacapo-python-0.6.ebuild | 25 | ||||
-rw-r--r-- | sci-physics/campos-dacapo/campos-dacapo-2.7.7.ebuild | 70 | ||||
-rw-r--r-- | sci-physics/campos-gridpaw/Manifest | 8 | ||||
-rw-r--r-- | sci-physics/campos-gridpaw/campos-gridpaw-0.14.0.ebuild | 25 | ||||
-rw-r--r-- | sci-physics/campos-gridpaw/files/digest-campos-gridpaw-0.14.0 | 3 |
13 files changed, 315 insertions, 0 deletions
diff --git a/sci-physics/campos-asap/Manifest b/sci-physics/campos-asap/Manifest new file mode 100644 index 0000000..d07cbef --- /dev/null +++ b/sci-physics/campos-asap/Manifest @@ -0,0 +1,8 @@ +DIST Asap-2.14.tar.gz 1361932 RMD160 6367865d61031bdd323482e8ec4bb171ef776b8e SHA1 b219103b1d425a27dc539f99330bb6a2886f97b4 SHA256 79665e1f01d91b4e73eba98327c2368099f355e3b4e389b10d5b11851aa9a0e5 +EBUILD campos-asap-2.14.ebuild 1895 RMD160 db7a23521c19b62d647b0ce27a5ef4562572d004 SHA1 71eb0a1345605b78cb333272b29efff814b3a652 SHA256 309e1c4beb6f2293fc6e6c1fa31ab2581bf82d7313ebc16f10a245f501d34a97 +MD5 eebc7908f7319cf40cae3981f710886e campos-asap-2.14.ebuild 1895 +RMD160 db7a23521c19b62d647b0ce27a5ef4562572d004 campos-asap-2.14.ebuild 1895 +SHA256 309e1c4beb6f2293fc6e6c1fa31ab2581bf82d7313ebc16f10a245f501d34a97 campos-asap-2.14.ebuild 1895 +MD5 ffa0f26502fd717f86b7406d1edbf97a files/digest-campos-asap-2.14 232 +RMD160 baf424b863683f0762de8a8cfec0fbd5741cc3c5 files/digest-campos-asap-2.14 232 +SHA256 61046a04de6653db58a7973abfa4867f9c4bca9c6612d56949f3dd894941645f files/digest-campos-asap-2.14 232 diff --git a/sci-physics/campos-asap/campos-asap-2.14.ebuild b/sci-physics/campos-asap/campos-asap-2.14.ebuild new file mode 100644 index 0000000..dd9cdec --- /dev/null +++ b/sci-physics/campos-asap/campos-asap-2.14.ebuild @@ -0,0 +1,65 @@ +# Copyright 2006 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /home/camp/CVSROOT/CamposEbuilds/portage/sci-physics/campos-asap/campos-asap-2.14.ebuild,v 1.2 2006/02/15 10:27:52 schiotz Exp $ + +inherit eutils toolchain-funcs python multilib + +MY_P=Asap-${PV} +DESCRIPTION="ASAP is a calculator for campos-ase, implementing the Effective Medium Potential" +HOMEPAGE="http://wiki.fysik.dtu.dk/Asap" +SRC_URI="http://dcwww.camp.dtu.dk/campos/download/${MY_P}.tar.gz" +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~x86" +IUSE="doc mpi" +RDEPEND=">=sci-physics/campos-ase-2.1.1" +DEPEND="${RDEPEND} + >=dev-lang/swig-1.3.21 + doc? ( >=app-doc/doxygen-1.4.4 + dev-libs/libxslt + dev-python/epydoc ) + mpi? ( virtual/mpi )" +S=${WORKDIR}/${MY_P} + +src_compile() { + if [[ $(tc-getCXX) = icc ]]; then + MYMF="USE_INTEL_COMPILER_ON_LINUX=1" + else + MYMF="USE_INTEL_COMPILER_ON_LINUX=0" + fi + + python_version + + emake -j1 ${MYMF} depend || die "emake depend failed" + if use doc; then + emake -j1 ${MYMF} docs || die "emake docs failed" + fi + if use mpi; then + emake ${MYMF} parallel || die "emake serial failed" + else + emake ${MYMF} serial || die "emake serial failed" + fi + if use doc; then + # Pythonpath set to work around bug in epydoc + export PYTHONPATH=/usr/$(get_libdir)/python${PYVER}/site-packages/Scientific/linux2 + export PYTHONPATH=`pwd`/Swig/`arch`:${PYTHONPATH} + epydoc --output epydoc --inheritance included --name Asap --url ${HOMEPAGE} Python/Asap + fi +} + +src_install() { + if use mpi; then + emake ${MYMF} DESTDIR="${D}" install-parallel || die "emake install failed" + else + emake ${MYMF} DESTDIR="${D}" install || die "emake install failed" + fi + use doc && dohtml -r epydoc/* +} + +pkg_postinst() { + python_mod_optimize ${ROOT}usr/$(get_libdir)/python*/site-packages/Asap +} + +pkg_postrm() { + python_mod_cleanup ${ROOT}usr/$(get_libdir)/python*/site-packages/Asap +} diff --git a/sci-physics/campos-asap/files/digest-campos-asap-2.14 b/sci-physics/campos-asap/files/digest-campos-asap-2.14 new file mode 100644 index 0000000..236195d --- /dev/null +++ b/sci-physics/campos-asap/files/digest-campos-asap-2.14 @@ -0,0 +1,3 @@ +MD5 d828a721c3c0d51e1432c80c023df5f0 Asap-2.14.tar.gz 1361932 +RMD160 6367865d61031bdd323482e8ec4bb171ef776b8e Asap-2.14.tar.gz 1361932 +SHA256 79665e1f01d91b4e73eba98327c2368099f355e3b4e389b10d5b11851aa9a0e5 Asap-2.14.tar.gz 1361932 diff --git a/sci-physics/campos-ase/Manifest b/sci-physics/campos-ase/Manifest new file mode 100644 index 0000000..d3c3bcb --- /dev/null +++ b/sci-physics/campos-ase/Manifest @@ -0,0 +1,12 @@ +DIST CamposASE-2.3.tar.gz 3155543 RMD160 7cd31ee6f9d76603ff416139b08c4b4cd3721a6b SHA1 1c01a80e7fe35c318019042cd24b585a364343d8 SHA256 949041c445631301d0a179360b10650315e6d77f7a4ed4c45caeed934c645cb4 +EBUILD campos-ase-2.3.ebuild 1363 RMD160 ee8236de8113b7a23ad2b11b9f66c34e03dba6a3 SHA1 6f4ea647aadce4f3de975de75cf67dcd73d8e31c SHA256 4b0d845de3b2fb2d1d5e62a7be907fddf11e5c2e343029ce152dd9489e7a0f5c +MD5 9ccff09741e7fd1b93946959a7442400 campos-ase-2.3.ebuild 1363 +RMD160 ee8236de8113b7a23ad2b11b9f66c34e03dba6a3 campos-ase-2.3.ebuild 1363 +SHA256 4b0d845de3b2fb2d1d5e62a7be907fddf11e5c2e343029ce152dd9489e7a0f5c campos-ase-2.3.ebuild 1363 +MISC metadata.xml 504 RMD160 7d2e2699c64a6c5d8c1e84e17ef45d2a330174f2 SHA1 c2842b2d0ffcd9730058456e85eded58e72f4572 SHA256 a8afd823624c29f88a7288e14c4693c2e58beea314e022ad7291bb951aa9e7c1 +MD5 0d10e8a9896316d72b9b47bc671bd8c3 metadata.xml 504 +RMD160 7d2e2699c64a6c5d8c1e84e17ef45d2a330174f2 metadata.xml 504 +SHA256 a8afd823624c29f88a7288e14c4693c2e58beea314e022ad7291bb951aa9e7c1 metadata.xml 504 +MD5 bca5eb1530e2efd8da0f88d459834df5 files/digest-campos-ase-2.3 244 +RMD160 263d1eb9def75a784060a2d1c6504771cfc8790a files/digest-campos-ase-2.3 244 +SHA256 1663371f830da57d4c0dce972d3859d52f6868afec2607890aefa950664a1dcb files/digest-campos-ase-2.3 244 diff --git a/sci-physics/campos-ase/campos-ase-2.3.ebuild b/sci-physics/campos-ase/campos-ase-2.3.ebuild new file mode 100644 index 0000000..bba70d4 --- /dev/null +++ b/sci-physics/campos-ase/campos-ase-2.3.ebuild @@ -0,0 +1,41 @@ +# Copyright 2006 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /home/camp/CVSROOT/CamposEbuilds/portage/sci-calculators/campos-ase/campos-ase-2.1.1.ebuild,v 1.3 2006/02/15 10:27:52 schiotz Exp $ + +inherit python multilib distutils eutils + +PYTHON_MODNAME="ASE" +MY_P=CamposASE-${PV} +DESCRIPTION="The Atomistic Simulation Environment is the core of the CampOS simulation software. There are Python modules for: building atomic structures, molecular dynamics, structure optimization, analysis and much more." +HOMEPAGE="http://wiki.fysik.dtu.dk/ase" +SRC_URI="http://dcwww.camp.dtu.dk/campos/download/${MY_P}.tar.gz" +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~x86" +IUSE="doc X" +RDEPEND=">=dev-python/scientificpython-2.4.3 + X? ( >=dev-python/pexpect-0.97 + >=sci-chemistry/rasmol-2.7.2 + >=dev-python/gnuplot-py-1.6 + media-gfx/povray + virtual/ghostscript + )" +DEPEND="${RDEPEND} + doc? ( dev-python/epydoc )" +S=${WORKDIR}/${MY_P} + +src_compile() { + distutils_python_version + distutils_src_compile + if use doc; then + # Pythonpath set to work around bug in epydoc + python_version + export PYTHONPATH=/usr/$(get_libdir)/python${PYVER}/site-packages/Scientific/linux2 + epydoc --output epydoc --inheritance included --name ASE --url ${HOMEPAGE} ASE + fi +} + +src_install() { + distutils_src_install + use doc && dohtml -r epydoc/* +} diff --git a/sci-physics/campos-ase/files/digest-campos-ase-2.3 b/sci-physics/campos-ase/files/digest-campos-ase-2.3 new file mode 100644 index 0000000..5bf0e22 --- /dev/null +++ b/sci-physics/campos-ase/files/digest-campos-ase-2.3 @@ -0,0 +1,3 @@ +MD5 66d4dd1c767c22ccac3feffbf0a66c74 CamposASE-2.3.tar.gz 3155543 +RMD160 7cd31ee6f9d76603ff416139b08c4b4cd3721a6b CamposASE-2.3.tar.gz 3155543 +SHA256 949041c445631301d0a179360b10650315e6d77f7a4ed4c45caeed934c645cb4 CamposASE-2.3.tar.gz 3155543 diff --git a/sci-physics/campos-ase/metadata.xml b/sci-physics/campos-ase/metadata.xml new file mode 100644 index 0000000..873f953 --- /dev/null +++ b/sci-physics/campos-ase/metadata.xml @@ -0,0 +1,14 @@ +<?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> +<longdescription> +The Atomistic Simulation Environment is the core of the CampOS simulation +software. There are Python modules for building atomic structures, molecular +dynamics, structure optimization, analysis and much more. +</longdescription> +</pkgmetadata> diff --git a/sci-physics/campos-dacapo-bin-2.7.7-r1.ebuild b/sci-physics/campos-dacapo-bin-2.7.7-r1.ebuild new file mode 100644 index 0000000..1196850 --- /dev/null +++ b/sci-physics/campos-dacapo-bin-2.7.7-r1.ebuild @@ -0,0 +1,38 @@ +# Copyright 2006 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /home/camp/CVSROOT/CamposEbuilds/portage/sci-calculators/campos-dacapo-bin/campos-dacapo-bin-2.7.7-r1.ebuild,v 1.3 2006/02/15 10:27:52 schiotz Exp $ + +inherit eutils rpm + +DESCRIPTION="Dacapo is a plane-wave based Density Functional Theory program" + +MY_P=Dacapo-${PV} +S=${WORKDIR} +HOMEPAGE="http://www.camp.dtu.dk/campos/Dacapo" +# HOMEPAGE="http://wiki.fysik.dtu.dk/Dacapo" +SRC_URI="http://www.camp.dtu.dk/campos/download/${MY_P}-0.1.i386.rpm" +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="x86" +IUSE="" +RESTRICT="nomirror" + +DEPEND=">=sci-calculators/campos-ase-0.11 + =sci-calculators/campos-dacapo-python-0.6" + +src_unpack() { + rpm_src_unpack +} + +src_install() { + rm -rf etc + mkdir -p etc/env.d + echo 'DACAPOPATH=/usr/share/dacapo/psp' > etc/env.d/55campos-dacapo + cp -prv * ${D} + chmod -R +r ${D} + find ${D} -type d | xargs chmod +x +} + +pkg_postinst() { + env-update +} diff --git a/sci-physics/campos-dacapo-python-0.6.ebuild b/sci-physics/campos-dacapo-python-0.6.ebuild new file mode 100644 index 0000000..f8f492b --- /dev/null +++ b/sci-physics/campos-dacapo-python-0.6.ebuild @@ -0,0 +1,25 @@ +# Copyright 2006 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /home/camp/CVSROOT/CamposEbuilds/portage/sci-calculators/campos-dacapo-python/campos-dacapo-python-0.6.ebuild,v 1.2 2006/02/15 10:27:52 schiotz Exp $ + +inherit distutils eutils + +DESCRIPTION="Python modules used by sci-calculators/campos-dacapo-bin" + +MY_P=Dacapo-python-${PV} +S=${WORKDIR}/Dacapo-${PV} +HOMEPAGE="http://www.camp.dtu.dk/campos/Dacapo" +SRC_URI="http://www.camp.dtu.dk/campos/download/${MY_P}.tar.gz" +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="x86" +IUSE="" +RESTRICT="nomirror" + +DEPEND=">=sci-calculators/campos-ase-0.11" + +src_install() { + distutils_src_install + distutils_python_version +} + diff --git a/sci-physics/campos-dacapo/campos-dacapo-2.7.7.ebuild b/sci-physics/campos-dacapo/campos-dacapo-2.7.7.ebuild new file mode 100644 index 0000000..77dbf1b --- /dev/null +++ b/sci-physics/campos-dacapo/campos-dacapo-2.7.7.ebuild @@ -0,0 +1,70 @@ +# Copyright 2006 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /home/camp/CVSROOT/CamposEbuilds/portage/sci-calculators/campos-dacapo-python/campos-dacapo-python-0.6.ebuild,v 1.2 2006/02/15 10:27:52 schiotz Exp $ + +inherit distutils fortran multilib + +MY_P=Dacapo-${PV} +DESCRIPTION="Dacapo is a plane-wave based Density Functional Theory program" +HOMEPAGE="http://www.camp.dtu.dk/campos/Dacapo" +SRC_URI="http://dcwww.camp.dtu.dk/campos/download/${MY_P}.tar.gz" +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~x86" +IUSE="" +RDEPEND=">=sci-physics/campos-ase-0.11 + virtual/blas + =sci-libs/fftw-2* + sci-libs/netcdf" +DEPEND="${RDEPEND}" +S=${WORKDIR}/${MY_P} +FORTRAN="gfortran ifc" + +src_unpack() { + unpack ${A} + cd "${S}" + sed -i \ + -e "s:FC=pgf90:FC=${FORTRANC}:g" \ + -e "s:FC90=pgf90:FC90=${FORTRANC}:g" \ + src/Makefile +} + +src_compile() { + pushd "${S}"/Python + distutils_src_compile + popd + + pushd "${S}"/src + + mkdir -p netcdf/include/generic + cp ${ROOT}usr/$(get_libdir)/libnetcdf.a netcdf/include/generic/ + + case ${FORTRANC} in + gfortran) TARGET="generic" ;; + ifc) TARGET="intellinux" ;; + esac + + # We don't attempt to do the MPI build yet, it requires a lot of hacking + # in src/Makefile. Build defaults to serial, see MP in src/Makefile + emake \ + ${TARGET} \ + GENERIC_OPT="${FFLAGS}" \ + INTELLINUX_OPT="${FFLAGS}" \ + || die "emake generic failed" + + popd +} + +src_install() { + pushd "${S}"/Python + distutils_src_install + popd + + insinto /usr/share/dacapo/psp + doins psp/*/*/*.pseudo + + echo "DACAPOPATH=${ROOT}usr/share/dacapo/psp" > "${T}"/55campos-dacapo + doenvd "${T}"/55campos-dacapo + + dodoc dacapo.csh dacapo_ser+paral_wrapper.run dacapo.sh +} diff --git a/sci-physics/campos-gridpaw/Manifest b/sci-physics/campos-gridpaw/Manifest new file mode 100644 index 0000000..fc518bb --- /dev/null +++ b/sci-physics/campos-gridpaw/Manifest @@ -0,0 +1,8 @@ +DIST gpaw-0.14.0.tar.gz 491069 RMD160 4207a255036472c91a6dd677b5610c478b1ccd17 SHA1 8cdc969897eb5df6ca15b75a9da4c996a473dbbb SHA256 ba7756ef05908068bf41f172d7f5c880bd30037d0d47c702b9eabcf28ba727ea +EBUILD campos-gridpaw-0.14.0.ebuild 900 RMD160 612da00959408bc85eefcfbcfdb47a4406fa02a9 SHA1 7a6b872c7d5904e2bb5d97f80cb7c4e29a3c5f64 SHA256 3a709a595aace7b08ba7946366b596bd64ddea116d8e04d2a6700267247a3206 +MD5 795ee7bbb6e1e0aebc502f34a0b3ad01 campos-gridpaw-0.14.0.ebuild 900 +RMD160 612da00959408bc85eefcfbcfdb47a4406fa02a9 campos-gridpaw-0.14.0.ebuild 900 +SHA256 3a709a595aace7b08ba7946366b596bd64ddea116d8e04d2a6700267247a3206 campos-gridpaw-0.14.0.ebuild 900 +MD5 4066b5570fe3fbb04a91baef797d0f0d files/digest-campos-gridpaw-0.14.0 235 +RMD160 e90a7bb4e5d83d107091e4f058196b9d7b1c6f4d files/digest-campos-gridpaw-0.14.0 235 +SHA256 c52fb31be6d41a9fa16d4bc16050c4096891582afbf841c1af2dafd2a5d53821 files/digest-campos-gridpaw-0.14.0 235 diff --git a/sci-physics/campos-gridpaw/campos-gridpaw-0.14.0.ebuild b/sci-physics/campos-gridpaw/campos-gridpaw-0.14.0.ebuild new file mode 100644 index 0000000..5ca8a63 --- /dev/null +++ b/sci-physics/campos-gridpaw/campos-gridpaw-0.14.0.ebuild @@ -0,0 +1,25 @@ +# Copyright 2006 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: /home/camp/CVSROOT/CamposEbuilds/portage/sci-calculators/campos-gridpaw/campos-gridpaw-0.9.0.ebuild,v 1.4 2006/02/15 10:27:52 schiotz Exp $ + +inherit eutils distutils + +PYTHON_MODNAME="gridpaw" +MY_P=gpaw-${PV} +S=${WORKDIR}/${MY_P} +DESCRIPTION="Real-spaced implementation of Density Functional Theory with Projector-Augmented Waves" +HOMEPAGE="http://wiki.fysik.dtu.dk/gridcode" +# self-signed certificate for https generates wget errors +#SRC_URI="http://wiki.fysik.dtu.dk/stuff/${MY_P}.tar.gz" +SRC_URI="mirror://gentoo/${MY_P}.tar.gz" +LICENSE="GPL-2" +SLOT="0" +KEYWORDS="~x86" +IUSE="" +RDEPEND="virtual/lapack + >=sci-physics/campos-ase-2.0" +DEPEND="${RDEPEND}" + +pkg_postinst() { + elog "The users need to install atomic setup files themselves. See https://wiki.fysik.dtu.dk/gridcode/Setups" +} diff --git a/sci-physics/campos-gridpaw/files/digest-campos-gridpaw-0.14.0 b/sci-physics/campos-gridpaw/files/digest-campos-gridpaw-0.14.0 new file mode 100644 index 0000000..8c07257 --- /dev/null +++ b/sci-physics/campos-gridpaw/files/digest-campos-gridpaw-0.14.0 @@ -0,0 +1,3 @@ +MD5 a6128d26d8fa1cd18b95046443c3e59a gpaw-0.14.0.tar.gz 491069 +RMD160 4207a255036472c91a6dd677b5610c478b1ccd17 gpaw-0.14.0.tar.gz 491069 +SHA256 ba7756ef05908068bf41f172d7f5c880bd30037d0d47c702b9eabcf28ba727ea gpaw-0.14.0.tar.gz 491069 |