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authorV3n3RiX <venerix@redcorelinux.org>2020-09-23 10:22:15 +0100
committerV3n3RiX <venerix@redcorelinux.org>2020-09-23 10:22:15 +0100
commit8b4ace9c50842c5b83401ea7b179dcab940387e1 (patch)
tree230f3135ceaace633cf93e9838b185c4a6664c2e /sci-chemistry/freeon
parent9ee6d97c2883d42f204a533a8bc1f4562df778fb (diff)
gentoo resync : 23.09.2020
Diffstat (limited to 'sci-chemistry/freeon')
-rw-r--r--sci-chemistry/freeon/Manifest7
-rw-r--r--sci-chemistry/freeon/files/freeon-1.0.10-stop.patch36
-rw-r--r--sci-chemistry/freeon/files/freeon-1.0.8-blas.patch165
-rw-r--r--sci-chemistry/freeon/freeon-1.0.10.ebuild34
-rw-r--r--sci-chemistry/freeon/freeon-1.0.8-r1.ebuild28
-rw-r--r--sci-chemistry/freeon/metadata.xml12
6 files changed, 0 insertions, 282 deletions
diff --git a/sci-chemistry/freeon/Manifest b/sci-chemistry/freeon/Manifest
deleted file mode 100644
index 728938a13a88..000000000000
--- a/sci-chemistry/freeon/Manifest
+++ /dev/null
@@ -1,7 +0,0 @@
-AUX freeon-1.0.10-stop.patch 970 BLAKE2B 6c1e5dfe5ad881fbbceb071c53cf3fcaa187ae1f19ad9f342ca004e66d6c15ea6fe923303b2c81dfd43367c59871bbf2480802a9fdefc01c8456307fc4b03b94 SHA512 b0ba7adaf23a7b91650790cad77e0f06e75a42183c0443dbb5c8f569c77fda2dae2702729236275bc148759247675be5bef4080bba4b9532c22e21160ea62ce7
-AUX freeon-1.0.8-blas.patch 5076 BLAKE2B 198f65079462b8c7af860b98894526bdc98172035c3d0b5ccd0cfd8bca14e36790c9e20771b7ec8ce5ca4d47f2d5dc7f768c7cf1a4b4868bb48285ef518851fd SHA512 89012c6f8583a8736344a7bfa74a64bbe1af793443b7255ccb1fd73366d44527ed40c6dc3124caff1af02f4e662227c66aeced8d8526dbd26bb7a50e294b5da3
-DIST freeon-1.0.10.tar.bz2 5872019 BLAKE2B c3fde00a9ed67550bb5820ac78ff32d9f6d011db9291c45c0b7e62cacb62b48e7506d7bf1aa86e176577d18e679e859435f0d3b63289bc08e502a35f86c036d3 SHA512 5bae89d6421600792bf986f6fb7504d321d5d51782587237ecba35191e54c1ec6c5ea1fdc50ed2d339551c527e4efcc5421048ccce0404c4b06875cbd0800862
-DIST freeon-1.0.8.tar.bz2 5957707 BLAKE2B b76ae0ca17cc8407b37fac243523d2f8db63382a6f39d24380d2f01356ac78fbe2fb905bb525d979c9832b820623bffa7a0930d312c36f29138defb0d8bce106 SHA512 1227f670a73b4ea39beb26e4136ad535e126ad17d66171c31b3bd403a3886eee150cda865806a2d9dad85646ccb086a6be4f645455eab24603cb064fb725efbd
-EBUILD freeon-1.0.10.ebuild 636 BLAKE2B 79e5034c4ba6fe4e5a862d4c18566504b73cea81e16b75f2b871ec44b0e0c0f95fc4f44a53bf0d016a872efdc276359583e66947e6cce2d33daecf6986e9dd1e SHA512 d6ab2836564776cbe004f1fd4121188e625810e1a37aae24af30becb056b4e66a9d5a53923505533d9d7fd3191595d5b013413896ba9bd00d5b6a0d68f935376
-EBUILD freeon-1.0.8-r1.ebuild 626 BLAKE2B 5d5a53bd58c81ff88775f1370d0daf71e94d043b5c3fc825cb2e040cbdb4b3129c1b97b88b5eaaed1a21aaa592c0fa27fb4c7d403cacfdb5d2cfef724c8c72f9 SHA512 8474400965e790a50285e2d5687952535e5d2ee4797086dd64b7f62a990d993937f13d28f92f01057185378944f6baa939427b2a9253749cadb992afd9a72940
-MISC metadata.xml 376 BLAKE2B 04d5215096c154f2414dc0475c6510a66b6978bd85169311d4b17303bafea893f8e3c2afb83080d72492c5dc82a62b2522ca079e300c917c00e439da932fee68 SHA512 578a3221496eb1470d9fcac9e784f62bb39591448a35a24e1881b5be69473689770bbc928c5779b76bed8c657b1e44d929093e6a39812d135199e37a0e8938e2
diff --git a/sci-chemistry/freeon/files/freeon-1.0.10-stop.patch b/sci-chemistry/freeon/files/freeon-1.0.10-stop.patch
deleted file mode 100644
index a20d520e553c..000000000000
--- a/sci-chemistry/freeon/files/freeon-1.0.10-stop.patch
+++ /dev/null
@@ -1,36 +0,0 @@
-From 882b51fb718c2eed98ef3e8f3be0c5b7320024e1 Mon Sep 17 00:00:00 2001
-From: Justin Lecher <jlec@gentoo.org>
-Date: Mon, 2 Jan 2017 07:56:11 +0000
-Subject: [PATCH] Add missing blank after STOP
-
-The STOP statement requires preceding blank. Newer gcc
-will fail with
-
- CASE DEFAULT; STOP'Err:WghtMtrx'
- 1
-Error: Blank required in STOP statement near (1)
-
-See:
-https://bugs.gentoo.org/show_bug.cgi?id=604138
-
-Signed-off-by: Justin Lecher <jlec@gentoo.org>
----
- FreeON/Optimizer.F90 | 2 +-
- 1 file changed, 1 insertion(+), 1 deletion(-)
-
-diff --git a/FreeON/Optimizer.F90 b/FreeON/Optimizer.F90
-index 0ef22269..0bbd9008 100644
---- a/FreeON/Optimizer.F90
-+++ b/FreeON/Optimizer.F90
-@@ -3055,7 +3055,7 @@ CONTAINS
- SELECT CASE(FromTo)
- CASE('CToWC');IFromTo=0
- CASE('WCToC');IFromTo=1
-- CASE DEFAULT; STOP'Err:WghtMtrx'
-+ CASE DEFAULT; STOP 'Err:WghtMtrx'
- END SELECT
- DO AtB=1,NAtoms
- IF(IFromTo.EQ.0) THEN
---
-2.11.0
-
diff --git a/sci-chemistry/freeon/files/freeon-1.0.8-blas.patch b/sci-chemistry/freeon/files/freeon-1.0.8-blas.patch
deleted file mode 100644
index 46fca7fa2a52..000000000000
--- a/sci-chemistry/freeon/files/freeon-1.0.8-blas.patch
+++ /dev/null
@@ -1,165 +0,0 @@
- 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 $(LAPACK_LIBS)
-
- convertBCSR_SOURCES = \
- convertBCSR.cc \
diff --git a/sci-chemistry/freeon/freeon-1.0.10.ebuild b/sci-chemistry/freeon/freeon-1.0.10.ebuild
deleted file mode 100644
index f17708da523a..000000000000
--- a/sci-chemistry/freeon/freeon-1.0.10.ebuild
+++ /dev/null
@@ -1,34 +0,0 @@
-# Copyright 1999-2020 Gentoo Authors
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=6
-
-FORTRAN_STANDARD=90
-PYTHON_COMPAT=( python3_6 )
-
-inherit autotools fortran-2 python-any-r1
-
-DESCRIPTION="An experimental suite of programs for linear scaling quantum chemistry"
-HOMEPAGE="http://www.freeon.org"
-SRC_URI="http://download.savannah.gnu.org/releases/${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}"/${P}-stop.patch
-)
-
-src_prepare() {
- default
- eautoreconf
-}
diff --git a/sci-chemistry/freeon/freeon-1.0.8-r1.ebuild b/sci-chemistry/freeon/freeon-1.0.8-r1.ebuild
deleted file mode 100644
index 59b2b4ec6ffd..000000000000
--- a/sci-chemistry/freeon/freeon-1.0.8-r1.ebuild
+++ /dev/null
@@ -1,28 +0,0 @@
-# Copyright 1999-2015 Gentoo Foundation
-# Distributed under the terms of the GNU General Public License v2
-
-EAPI=5
-
-AUTOTOOLS_AUTORECONF=1
-FORTRAN_STANDARD=90
-PYTHON_COMPAT=( python2_7 )
-
-inherit autotools-utils fortran-2 python-any-r1
-
-DESCRIPTION="An experimental suite of programs for linear scaling quantum chemistry"
-HOMEPAGE="http://www.freeon.org"
-SRC_URI="http://download.savannah.gnu.org/releases/${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
deleted file mode 100644
index 2fe5325ae7fa..000000000000
--- a/sci-chemistry/freeon/metadata.xml
+++ /dev/null
@@ -1,12 +0,0 @@
-<?xml version="1.0" encoding="UTF-8"?>
-<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
-<pkgmetadata>
- <maintainer type="person">
- <email>nicolasbock@gentoo.org</email>
- <name>Nicolas Bock</name>
- </maintainer>
- <maintainer type="project">
- <email>sci-chemistry@gentoo.org</email>
- <name>Gentoo Chemistry Project</name>
- </maintainer>
-</pkgmetadata>