diff options
| -rw-r--r-- | profiles/package.mask | 1 | ||||
| -rw-r--r-- | sci-chemistry/freeon/Manifest | 2 | ||||
| -rw-r--r-- | sci-chemistry/freeon/files/freeon-1.0.10-stop.patch | 36 | ||||
| -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 | 34 | ||||
| -rw-r--r-- | sci-chemistry/freeon/freeon-1.0.8-r1.ebuild | 28 | ||||
| -rw-r--r-- | sci-chemistry/freeon/metadata.xml | 12 |
7 files changed, 0 insertions, 278 deletions
diff --git a/profiles/package.mask b/profiles/package.mask index 52fa22c89adc..c2fb87ad64d6 100644 --- a/profiles/package.mask +++ b/profiles/package.mask @@ -630,7 +630,6 @@ media-libs/libxmlbird net-fs/s3ql net-misc/dmr_utils sci-chemistry/ParmEd -sci-chemistry/freeon # Alfredo Tupone <tupone@gentoo.org> (2020-08-16) # Ported to py3.8 but not yet released diff --git a/sci-chemistry/freeon/Manifest b/sci-chemistry/freeon/Manifest deleted file mode 100644 index f3a464f5de67..000000000000 --- a/sci-chemistry/freeon/Manifest +++ /dev/null @@ -1,2 +0,0 @@ -DIST freeon-1.0.10.tar.bz2 5872019 BLAKE2B c3fde00a9ed67550bb5820ac78ff32d9f6d011db9291c45c0b7e62cacb62b48e7506d7bf1aa86e176577d18e679e859435f0d3b63289bc08e502a35f86c036d3 SHA512 5bae89d6421600792bf986f6fb7504d321d5d51782587237ecba35191e54c1ec6c5ea1fdc50ed2d339551c527e4efcc5421048ccce0404c4b06875cbd0800862 -DIST freeon-1.0.8.tar.bz2 5957707 BLAKE2B b76ae0ca17cc8407b37fac243523d2f8db63382a6f39d24380d2f01356ac78fbe2fb905bb525d979c9832b820623bffa7a0930d312c36f29138defb0d8bce106 SHA512 1227f670a73b4ea39beb26e4136ad535e126ad17d66171c31b3bd403a3886eee150cda865806a2d9dad85646ccb086a6be4f645455eab24603cb064fb725efbd 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> |