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author | 2015-08-08 13:49:04 -0700 | |
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committer | 2015-08-08 17:38:18 -0700 | |
commit | 56bd759df1d0c750a065b8c845e93d5dfa6b549d (patch) | |
tree | 3f91093cdb475e565ae857f1c5a7fd339e2d781e /sci-chemistry/freeon | |
download | gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.gz gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.tar.bz2 gentoo-56bd759df1d0c750a065b8c845e93d5dfa6b549d.zip |
proj/gentoo: Initial commit
This commit represents a new era for Gentoo:
Storing the gentoo-x86 tree in Git, as converted from CVS.
This commit is the start of the NEW history.
Any historical data is intended to be grafted onto this point.
Creation process:
1. Take final CVS checkout snapshot
2. Remove ALL ChangeLog* files
3. Transform all Manifests to thin
4. Remove empty Manifests
5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$
5.1. Do not touch files with -kb/-ko keyword flags.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests
X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project
X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration
X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn
X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts
X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration
X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging
X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed
Diffstat (limited to 'sci-chemistry/freeon')
-rw-r--r-- | sci-chemistry/freeon/Manifest | 2 | ||||
-rw-r--r-- | sci-chemistry/freeon/files/freeon-1.0.8-blas.patch | 165 | ||||
-rw-r--r-- | sci-chemistry/freeon/freeon-1.0.10.ebuild | 27 | ||||
-rw-r--r-- | sci-chemistry/freeon/freeon-1.0.8-r1.ebuild | 29 | ||||
-rw-r--r-- | sci-chemistry/freeon/metadata.xml | 12 |
5 files changed, 235 insertions, 0 deletions
diff --git a/sci-chemistry/freeon/Manifest b/sci-chemistry/freeon/Manifest new file mode 100644 index 000000000000..39a7e4aedcc1 --- /dev/null +++ b/sci-chemistry/freeon/Manifest @@ -0,0 +1,2 @@ +DIST freeon-1.0.10.tar.bz2 5872019 SHA256 01f0086a53930afb3078a2794baa1fccdacdc4a23082725cb016068d5a10ec38 SHA512 5bae89d6421600792bf986f6fb7504d321d5d51782587237ecba35191e54c1ec6c5ea1fdc50ed2d339551c527e4efcc5421048ccce0404c4b06875cbd0800862 WHIRLPOOL 84fcf7ca4d62e5a2407f2920f9a13fd2a4930f2637d098954b3be81f540e4a10344d17053a1d05046c2743f317a8898886148439d51364ce10dc66a313eadb8b +DIST freeon-1.0.8.tar.bz2 5957707 SHA256 ae14c1b640e4dcd9f18d2807f2debf9fc005b7451401e3e5d7b9dc76919f381d SHA512 1227f670a73b4ea39beb26e4136ad535e126ad17d66171c31b3bd403a3886eee150cda865806a2d9dad85646ccb086a6be4f645455eab24603cb064fb725efbd WHIRLPOOL b41a3b1e4bb152309a12ac0c4fec07c932809bb465af4b08cb76f6e0bf089c4d91682e1428c47d1adb449d153a1338cd3d540e860ca22774a299e21da44a16c1 diff --git a/sci-chemistry/freeon/files/freeon-1.0.8-blas.patch b/sci-chemistry/freeon/files/freeon-1.0.8-blas.patch new file mode 100644 index 000000000000..46fca7fa2a52 --- /dev/null +++ b/sci-chemistry/freeon/files/freeon-1.0.8-blas.patch @@ -0,0 +1,165 @@ + FreeON/Makefile.am | 2 +- + HiCu/Makefile.am | 2 +- + ONX/Makefile.am | 1 + + OneE/Makefile.am | 2 +- + QCTC/Makefile.am | 2 +- + SCFeqs/Makefile.am | 2 +- + configure.ac | 12 ++++++++---- + make.inc | 2 +- + tests/Makefile.am | 8 ++++---- + tools/Makefile.am | 2 +- + 10 files changed, 20 insertions(+), 15 deletions(-) + +diff --git a/FreeON/Makefile.am b/FreeON/Makefile.am +index 18e0283..12db056 100644 +--- a/FreeON/Makefile.am ++++ b/FreeON/Makefile.am +@@ -50,7 +50,7 @@ FreeON_DEPENDENCIES = $(LIBRARY_DEPENDENCY_FILES) + + SOURCES_DEPCHECK = $(FreeON_SOURCES) + +-FreeON_LDADD = $(LDADD_MODULES) ++FreeON_LDADD = $(LDADD_MODULES) $(LAPACK_LIBS) + + AM_CPPFLAGS += \ + -DFREEON_BASISSETS=\"$(datadir)/$(PACKAGE)/BasisSets\" \ +diff --git a/HiCu/Makefile.am b/HiCu/Makefile.am +index 1847354..cc4ebef 100644 +--- a/HiCu/Makefile.am ++++ b/HiCu/Makefile.am +@@ -27,7 +27,7 @@ EXTRA_DIST = \ + MMA/CubeRules/RuleD.Inc \ + MMA/CubeRules/RuleE.Inc + +-LDADD = $(LDADD_MODULES) ++LDADD = $(LDADD_MODULES) $(LAPACK_LIBS) + + EXTRA_INCLUDES = -I$(top_srcdir)/Modules/MMA/Functionals + AM_CPPFLAGS += -DRULE7 -DEXPLICIT_SOURCE +diff --git a/ONX/Makefile.am b/ONX/Makefile.am +index 4d25029..b27b149 100644 +--- a/ONX/Makefile.am ++++ b/ONX/Makefile.am +@@ -61,6 +61,7 @@ EXTRA_INCLUDES = \ + + LDADD = \ + $(LDADD_MODULES) \ ++ $(LAPACK_LIBS) \ + $(builddir)/../TwoE/libfreeonTwoE.la + + # In case we have ctags installed, make the necessary tags files. +diff --git a/OneE/Makefile.am b/OneE/Makefile.am +index 784bede..ea86ae7 100644 +--- a/OneE/Makefile.am ++++ b/OneE/Makefile.am +@@ -46,7 +46,7 @@ EXTRA_DIST = \ + MMA/QQuad32.Inc \ + MMA/QQuad64.Inc + +-LDADD = $(LDADD_MODULES) ++LDADD = $(LDADD_MODULES) $(LAPACK_LIBS) + + EXTRA_INCLUDES = -I$(srcdir)/MMA + +diff --git a/QCTC/Makefile.am b/QCTC/Makefile.am +index 3ec39f0..53c358c 100644 +--- a/QCTC/Makefile.am ++++ b/QCTC/Makefile.am +@@ -105,7 +105,7 @@ EXTRA_DIST = \ + PBCTensor/Majik_Kubic_WS2.Inc + + EXTRA_INCLUDES = -I$(top_builddir)/OneE -I$(top_srcdir)/Modules/MMA/LookUpTables_800_6x +-LDADD = $(LDADD_MODULES) libktrax.la ++LDADD = $(LDADD_MODULES) libktrax.la $(LAPACK_LIBS) + + # In case we have ctags installed, make the necessary tags files. + .PHONY : tags +diff --git a/SCFeqs/Makefile.am b/SCFeqs/Makefile.am +index 2ee640f..709f220 100644 +--- a/SCFeqs/Makefile.am ++++ b/SCFeqs/Makefile.am +@@ -57,7 +57,7 @@ SOURCES_DEPCHECK = \ + $(P2Use_SOURCES) \ + $(DIIS_SOURCES) + +-LDADD = $(LDADD_MODULES) ++LDADD = $(LDADD_MODULES) $(LAPACK_LIBS) + + # In case we have ctags installed, make the necessary tags files. + .PHONY : tags +diff --git a/configure.ac b/configure.ac +index e0c6a77..726c880 100644 +--- a/configure.ac ++++ b/configure.ac +@@ -784,12 +784,16 @@ END PROGRAM test_compiler + you use a version >= 4.2.0])]) + + # Check for BLAS. +-AC_SEARCH_LIBS([dgemm], [blas], [], +- [AC_MSG_FAILURE([specify the location of dgemm()])]) ++PKG_CHECK_MODULES([BLAS],[blas],[], ++ AC_SEARCH_LIBS([dgemm], [blas], [], ++ [AC_MSG_FAILURE([specify the location of dgemm()])]) ++ ) + + # Check for LAPACK. +-AC_SEARCH_LIBS([dsyev], [lapack], [], +- [AC_MSG_FAILURE([specify the library that contains dsyev()])]) ++PKG_CHECK_MODULES([LAPACK],[lapack],[], ++ AC_SEARCH_LIBS([dsyev], [lapack], [], ++ [AC_MSG_FAILURE([specify the library that contains dsyev()])]) ++ ) + + AC_ARG_VAR([H5CC], [h5cc compiler wrapper command]) + +diff --git a/make.inc b/make.inc +index cf35e40..5766ff9 100644 +--- a/make.inc ++++ b/make.inc +@@ -9,7 +9,7 @@ AM_CPPFLAGS = @AM_CPPFLAGS@ + # Fix for bug in autoconf-2.59 + builddir = . + +-LDADD_MODULES = $(top_builddir)/Modules/libfreeonmodules.la ++LDADD_MODULES = $(top_builddir)/Modules/libfreeonmodules.la $(LAPACK_MODULES) + + # On filesystems which are case-insensitive (which really means HFS+ on OS X) + # we can not preprocess into a filename that differs by the case only, i.e. .C +diff --git a/tests/Makefile.am b/tests/Makefile.am +index 6bd89f2..ae9da60 100644 +--- a/tests/Makefile.am ++++ b/tests/Makefile.am +@@ -7,16 +7,16 @@ noinst_PROGRAMS = \ + sendReceive_HGRho + + sleeper_SOURCES = sleeper.F90 +-sleeper_LDADD = $(LDADD_MODULES) ++sleeper_LDADD = $(LDADD_MODULES) $(LAPACK_LIBS) + + lock_SOURCES = lock.F90 +-lock_LDADD = $(LDADD_MODULES) ++lock_LDADD = $(LDADD_MODULES) $(LAPACK_LIBS) + + sendReceive_DBL_RNK2_SOURCES = sendReceive_DBL_RNK2.F90 +-sendReceive_DBL_RNK2_LDADD = $(LDADD_MODULES) ++sendReceive_DBL_RNK2_LDADD = $(LDADD_MODULES) $(LAPACK_LIBS) + + sendReceive_HGRho_SOURCES = sendReceive_HGRho.F90 +-sendReceive_HGRho_LDADD = $(LDADD_MODULES) ++sendReceive_HGRho_LDADD = $(LDADD_MODULES) $(LAPACK_LIBS) + + if HAVE_MPIRUN + MPI_TESTS = locktest +diff --git a/tools/Makefile.am b/tools/Makefile.am +index e0baaff..a6b18b2 100644 +--- a/tools/Makefile.am ++++ b/tools/Makefile.am +@@ -19,7 +19,7 @@ python_PYTHON = \ + bin_PROGRAMS = printBCSR convertBCSR + + printBCSR_SOURCES = printBCSR.F90 +-printBCSR_LDADD = $(top_builddir)/Modules/libfreeonmodules.la ++printBCSR_LDADD = $(top_builddir)/Modules/libfreeonmodules.la $(LAPACK_LIBS) + + convertBCSR_SOURCES = \ + convertBCSR.cc \ diff --git a/sci-chemistry/freeon/freeon-1.0.10.ebuild b/sci-chemistry/freeon/freeon-1.0.10.ebuild new file mode 100644 index 000000000000..f19ae3f6fb89 --- /dev/null +++ b/sci-chemistry/freeon/freeon-1.0.10.ebuild @@ -0,0 +1,27 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +AUTOTOOLS_AUTORECONF=1 +FORTRAN_STANDARD=90 +PYTHON_COMPAT=( python{2_7,3_3,3_4} ) + +inherit autotools-utils fortran-2 python-any-r1 + +DESCRIPTION="An experimental suite of programs for linear scaling quantum chemistry" +HOMEPAGE="http://www.freeon.org" +SRC_URI="http://download.savannah.gnu.org/releases/${PN}/${PN}-${PV}.tar.bz2" + +LICENSE="GPL-3" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="" + +RDEPEND=" + sci-libs/hdf5 + virtual/blas + virtual/lapack" +DEPEND="${RDEPEND} + ${PYTHON_DEPS}" diff --git a/sci-chemistry/freeon/freeon-1.0.8-r1.ebuild b/sci-chemistry/freeon/freeon-1.0.8-r1.ebuild new file mode 100644 index 000000000000..9a847d58768e --- /dev/null +++ b/sci-chemistry/freeon/freeon-1.0.8-r1.ebuild @@ -0,0 +1,29 @@ +# Copyright 1999-2015 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Id$ + +EAPI=5 + +AUTOTOOLS_AUTORECONF=1 +FORTRAN_STANDARD=90 +PYTHON_COMPAT=( python{2_7,3_3,3_4} ) + +inherit autotools-utils fortran-2 python-any-r1 + +DESCRIPTION="An experimental suite of programs for linear scaling quantum chemistry" +HOMEPAGE="http://www.freeon.org" +SRC_URI="http://download.savannah.gnu.org/releases/${PN}/${PN}-${PV}.tar.bz2" + +LICENSE="GPL-3" +SLOT="0" +KEYWORDS="~amd64 ~x86" +IUSE="" + +RDEPEND=" + sci-libs/hdf5 + virtual/blas + virtual/lapack" +DEPEND="${RDEPEND} + ${PYTHON_DEPS}" + +PATCHES=( "${FILESDIR}"/${P}-blas.patch ) diff --git a/sci-chemistry/freeon/metadata.xml b/sci-chemistry/freeon/metadata.xml new file mode 100644 index 000000000000..eba82069680b --- /dev/null +++ b/sci-chemistry/freeon/metadata.xml @@ -0,0 +1,12 @@ +<?xml version="1.0" encoding="UTF-8"?> +<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> +<pkgmetadata> + <longdescription lang="en"> + FreeON is an experimental, open source (GPL) suite of programs for linear scaling quantum chemistry. + </longdescription> + <herd>sci-chemistry</herd> + <maintainer> + <email>nicolasbock@gentoo.org</email> + <name>Nicolas Bock</name> + </maintainer> +</pkgmetadata> |