(#122894) Get beginnings of CAMPOS ebuilds. Dacapo still broken, others work.

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