diff options
author | Justin Lecher <jlec@gentoo.org> | 2010-06-16 16:19:41 +0200 |
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committer | Justin Lecher <jlec@gentoo.org> | 2010-06-17 09:22:02 +0200 |
commit | 66efd51246a6f1d63a8e41cc03cb67dc81237217 (patch) | |
tree | e6dac671d34482ee1d1f3288bb81318716d75d01 /sci-libs | |
parent | InCvs (diff) | |
download | sci-66efd51246a6f1d63a8e41cc03cb67dc81237217.tar.gz sci-66efd51246a6f1d63a8e41cc03cb67dc81237217.tar.bz2 sci-66efd51246a6f1d63a8e41cc03cb67dc81237217.zip |
InCvs
Diffstat (limited to 'sci-libs')
-rw-r--r-- | sci-libs/rosetta-fragments/ChangeLog | 11 | ||||
-rw-r--r-- | sci-libs/rosetta-fragments/Manifest | 6 | ||||
-rw-r--r-- | sci-libs/rosetta-fragments/files/3.0-chemshift.patch | 33 | ||||
-rw-r--r-- | sci-libs/rosetta-fragments/files/3.0-nnmake.patch | 107 | ||||
-rw-r--r-- | sci-libs/rosetta-fragments/metadata.xml | 8 | ||||
-rw-r--r-- | sci-libs/rosetta-fragments/rosetta-fragments-3.0.ebuild | 60 |
6 files changed, 0 insertions, 225 deletions
diff --git a/sci-libs/rosetta-fragments/ChangeLog b/sci-libs/rosetta-fragments/ChangeLog deleted file mode 100644 index d9b0e8b9a..000000000 --- a/sci-libs/rosetta-fragments/ChangeLog +++ /dev/null @@ -1,11 +0,0 @@ -# ChangeLog for sci-libs/rosetta-fragments -# Copyright 1999-2009 Gentoo Foundation; Distributed under the GPL v2 -# $Header: $ - -*rosetta-fragments-3.0 (09 Apr 2009) - - 09 Apr 2009; Justin Lecher (jlec) <jlec@j-schmitz.net> - +files/3.0-chemshift.patch, +files/3.0-nnmake.patch, +metadata.xml, - +rosetta-fragments-3.0.ebuild: - Initial checkin to sci - diff --git a/sci-libs/rosetta-fragments/Manifest b/sci-libs/rosetta-fragments/Manifest deleted file mode 100644 index 26c79d942..000000000 --- a/sci-libs/rosetta-fragments/Manifest +++ /dev/null @@ -1,6 +0,0 @@ -AUX 3.0-chemshift.patch 952 RMD160 783195efb0952657dd47aab8e448a9b4044e623a SHA1 997c62e47832f1643bfa584a013d950ee2af6e2f SHA256 e453052bfe4b6927d9911661c4e791e256fd88473ab53b7e9faa254a1701db48 -AUX 3.0-nnmake.patch 5861 RMD160 3e3ed271cce1f5856cf13d808f673743f5680d39 SHA1 1a43e8a093d41805b4287d0098ccb62c40694bec SHA256 3f57bccd12539303e492110cc4fc69601eac86647dce6dbae5d87e5771018ebd -DIST rosetta3_fragments.tgz 443866583 RMD160 8fde0b53898a9c8fad0fa4326529ad4dcb8447f8 SHA1 33edeb4339cdd01533543c77ffb4671039ca4356 SHA256 fb446f70efe1cf8cfd3ec9173357a12937d17415853d02be0b8f82070f84ccb7 -EBUILD rosetta-fragments-3.0.ebuild 1303 RMD160 26ef9997ea9a5dd9d059534e2eec971afeaf5046 SHA1 cfc1a0eef4a96cad4151d3ac4e3e0d674da26b21 SHA256 90b8db9d424a7c08829c38f353cc8200630d8c5ed5bc8d7d87e30df4a620f0c7 -MISC ChangeLog 351 RMD160 b2b29aac3eac7aa536dd6d2730870dd0b9faf6b0 SHA1 ee118bcad9c231812189ef0ae92f915eb2406b4a SHA256 eebf1ae0c54988668ba7cfb2189ffe779a32b9d8cee424192026821ddfa9dcdb -MISC metadata.xml 215 RMD160 bc9c07aa91f2f175542244e4e4522a73558210a1 SHA1 facb283386de1c0b6b938cdcd4dde04d1694298b SHA256 13f32353652adbd3d934d41381cfc2cacc9e1127c508cebc73806cc1026ee80c diff --git a/sci-libs/rosetta-fragments/files/3.0-chemshift.patch b/sci-libs/rosetta-fragments/files/3.0-chemshift.patch deleted file mode 100644 index 6ea69b210..000000000 --- a/sci-libs/rosetta-fragments/files/3.0-chemshift.patch +++ /dev/null @@ -1,33 +0,0 @@ ---- chemshift/makefile 2009-01-09 16:08:00.000000000 +0100 -+++ chemshift/makefile.new 2009-04-09 11:30:34.179824057 +0200 -@@ -64,7 +64,7 @@ - # rule to compile executable - compile: $(BASE_NAME).$(COMPILER) - $(BASE_NAME).$(COMPILER) : print ${OBJS} -- $(F77) $(FFLAGS) -o $@ $(OBJS) $(LINKFLAGS) -+ $(F77) $(FFLAGS) $(LDFLAGS) -o $@ $(OBJS) $(LINKFLAGS) - - # rule to compile object files: - .$(COMPILER).%.o: %.f ---- chemshift/make.system 2009-01-09 16:08:00.000000000 +0100 -+++ chemshift/make.system.new 2009-04-09 11:35:16.126466293 +0200 -@@ -61,16 +61,14 @@ - - # defaults - F77=f77 --FFLAGS= - FOPTIMFLAGS=-O - FDEBUGFLAGS=-g - FPROFILEFLAGS=-P - - ifeq ($(COMPILER),gnu) -- F77 = g77 -- FFLAGS = -finline-functions -funroll-loops -W -ffixed-line-length-132 -Wimplicit -- FOPTIMFLAGS = -O -ffast-math -malign-double -- FDEBUGFLAGS = -g -Wall -Wimplicit -Wsurprising -Wformat -W -+ F77 = $(FORTRANC) -+ FOPTIMFLAGS = -+ FDEBUGFLAGS = - FPROFILEFLAGS = -pg - endif - diff --git a/sci-libs/rosetta-fragments/files/3.0-nnmake.patch b/sci-libs/rosetta-fragments/files/3.0-nnmake.patch deleted file mode 100644 index 35568bb9f..000000000 --- a/sci-libs/rosetta-fragments/files/3.0-nnmake.patch +++ /dev/null @@ -1,107 +0,0 @@ ---- nnmake/make.system 2009-01-09 16:07:59.000000000 +0100 -+++ nnmake/make.system.new 2009-04-09 10:54:50.000000000 +0200 -@@ -62,10 +62,9 @@ - FPROFILEFLAGS=-P - - ifeq ($(COMPILER),gnu) -- F77 = g77 -- FFLAGS = -finline-functions -funroll-loops -W -ffixed-line-length-132 -Wimplicit -- FOPTIMFLAGS = -O -ffast-math -malign-double -- FDEBUGFLAGS = -g -Wall -Wimplicit -Wsurprising -Wformat -W -+ F77 = $(FORTRANC) -+ FOPTIMFLAGS = -+ FDEBUGFLAGS = - FPROFILEFLAGS = -pg - endif - ---- nnmake/dipolar_nn.f 2009-01-09 16:08:00.000000000 +0100 -+++ nnmake/dipolar_nn.f.new 2009-04-09 11:06:24.923302302 +0200 -@@ -1396,7 +1396,7 @@ - write(0,*)'rejected' - write(0,*)x(1,iset),x(2,iset),x(3,iset),x(4,iset),x(5,iset) - do i=1,maplength(iset) -- write(0,'(i,6f6.3)')i,A(i,1),A(i,2),A(i,3),A(i,4),A(i,5), -+ write(0,'(i6,6f6.3)')i,A(i,1),A(i,2),A(i,3),A(i,4),A(i,5), - # b(i) - enddo - goto 300 ---- nnmake/make.system 2009-04-09 11:10:34.399945087 +0200 -+++ nnmake/make.system.new 2009-04-09 11:19:41.287390259 +0200 -@@ -55,7 +55,6 @@ - - # defaults - F77=f77 --FFLAGS= - FOPTIMFLAGS=-O - FDEBUGFLAGS=-g - FPROFILEFLAGS=-P ---- nnmake/makefile 2009-01-09 16:08:00.000000000 +0100 -+++ nnmake/makefile.new 2009-04-09 11:22:43.454037887 +0200 -@@ -102,7 +102,7 @@ - # rule to compile executable - compile: print $(BASE_NAME).$(COMPILER) - $(BASE_NAME).$(COMPILER) : ${OBJS} -- $(F77) $(FFLAGS) -o $@ $(OBJS) $(LINKFLAGS) -+ $(F77) $(FFLAGS) $(LDFLAGS) -o $@ $(OBJS) $(LINKFLAGS) - - coord_compile: print $(COORD_BASE_NAME).$(COMPILER) - $(COORD_BASE_NAME).$(COMPILER) : ${COORD_OBJS} ---- nnmake/make_fragments.pl 2009-01-09 15:53:33.000000000 +0100 -+++ nnmake/make_fragments.pl.new 2009-04-09 13:01:52.987174602 +0200 -@@ -19,38 +19,38 @@ - - my $TAIL = "_v1_3"; - --$src_dir = '/work/chu/rosetta/rosetta_C++/rosetta-2.2.0/rosetta_fragments'; --$shareware_dir = '/work/chu/src/shareware'; --$scratch = "/scratch/shared"; -+$src_dir = '/'; -+$shareware_dir = '$src_dir/usr/share'; -+$scratch = "$src_dir/scratch/shared"; - - # psi-blast - #my $BLAST_BIN_DIR = "$shareware_dir/new_blast/blast-2.2.12/bin"; --my $PSIBLAST = "$shareware_dir/blast/bin/blastpgp"; # PSI-BLAST (duh.) --my $NR = "/$scratch/genomes/nr"; # nr blast database filename --my $VALL_BLAST_DB = "/$scratch/nnmake_database/vall.blast.2006-05-05"; # vall blast database filename (cvs respository 'nnmake_database') --my $BLOSUM = "$scratch/nnmake_database/"; # BLOSUM score matrices directory (cvs repository 'nnmake_database') -+my $PSIBLAST = "$src_dir/usr/bin/blastpgp"; # PSI-BLAST (duh.) -+my $NR = "$shareware_dir/blast-db/nr"; # nr blast database filename -+my $VALL_BLAST_DB = "$shareware_dir/rosetta-fragments/nnmake_database/vall.blast.2006-05-05"; # vall blast database filename (cvs respository 'nnmake_database') -+my $BLOSUM = "$shareware_dir/rosetta-fragments/nnmake_database/"; # BLOSUM score matrices directory (cvs repository 'nnmake_database') - - # psipred --my $FILTNR = "$scratch/genomes/filtnr"; # filtnr blast database filename --my $MAKEMAT = "$shareware_dir/blast/bin/makemat"; # makemat utility (part of NCBI tools) --my $PSIPRED = "$shareware_dir/psipred/bin/psipred"; # psipred --my $PSIPASS2 = "$shareware_dir/psipred/bin/psipass2"; # psipass2 (part of psipred pkg) -+my $FILTNR = "$src_dir/tmp/filtnr"; # filtnr blast database filename -+my $MAKEMAT = "$src_dir/usr/bin/makemat"; # makemat utility (part of NCBI tools) -+my $PSIPRED = "$src_dir/usr/bin/psipred"; # psipred -+my $PSIPASS2 = "$src_dir/usr/bin/psipass2"; # psipass2 (part of psipred pkg) - my $PSIPRED_DATA = "$shareware_dir/psipred/data"; # dir containing psipred data files. - - # prof - #my $PROF = "$shareware_dir/prof/run_prof.py"; --my $PROF = "$src_dir/nnmake/run_prof.py"; # remember to change prof executable location in run_prof.py -+my $PROF = "$src_dir/usr/bin/run_prof.py"; # remember to change prof executable location in run_prof.py - - # nnmake --my $VALL = "$scratch/nnmake_database"; # dir containing vall database (cvs repository 'nnmake_database') --my $VALL2 = "$scratch/nnmake_database"; # alt dir containing vall database (cvs repository 'nnmake_database') -+my $VALL = "$shareware_dir/rosetta-fragments/nnmake_database"; # dir containing vall database (cvs repository 'nnmake_database') -+my $VALL2 = "$shareware_dir/rosetta-fragments/nnmake_database"; # alt dir containing vall database (cvs repository 'nnmake_database') - my $VALL_NAME = "vall.dat.2006-05-05"; # filename of vall (vall.dat.<id> and vall_cst_coord.dat.<id> must exist) --my $NNMAKE = "$src_dir/nnmake/pNNMAKE.gnu"; # nnmake binary (cvs respository 'nnmake') --my $TRIMLOOPS = "$src_dir/nnmake/trimLoopLibrary.pl"; # trimLoopLibrary.pl (cvs respository 'nnmake') -+my $NNMAKE = "$src_dir/usr/bin/pNNMAKE"; # nnmake binary (cvs respository 'nnmake') -+my $TRIMLOOPS = "$src_dir/usr/bin/trimLoopLibrary.pl"; # trimLoopLibrary.pl (cvs respository 'nnmake') - - # chemshift --my $CHEMSHIFT = "$src_dir/chemshift/pCHEMSHIFT.gnu"; # chemshift binary (cvs repository 'chemshift') --my $TALOS_DB = "$scratch/chemshift_database"; # TALOS databases directory (cvs respository 'chemshift_database') -+my $CHEMSHIFT = "$src_dir/usr/bin/pCHEMSHIFT"; # chemshift binary (cvs repository 'chemshift') -+my $TALOS_DB = "$shareware_dir/rosetta-fragments/chemshift_database"; # TALOS databases directory (cvs respository 'chemshift_database') - - # jufo (secondary structure prediction software) - my $JUFO = "$shareware_dir/jufo/molecule.exe"; # jufo executable diff --git a/sci-libs/rosetta-fragments/metadata.xml b/sci-libs/rosetta-fragments/metadata.xml deleted file mode 100644 index efb490d78..000000000 --- a/sci-libs/rosetta-fragments/metadata.xml +++ /dev/null @@ -1,8 +0,0 @@ -<?xml version="1.0" encoding="UTF-8"?> -<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd"> -<pkgmetadata> -<herd>sci</herd> -<maintainer> - <email>sci@gentoo.org</email> -</maintainer> -</pkgmetadata> diff --git a/sci-libs/rosetta-fragments/rosetta-fragments-3.0.ebuild b/sci-libs/rosetta-fragments/rosetta-fragments-3.0.ebuild deleted file mode 100644 index 55d00ff0e..000000000 --- a/sci-libs/rosetta-fragments/rosetta-fragments-3.0.ebuild +++ /dev/null @@ -1,60 +0,0 @@ -# Copyright 1999-2009 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 -# $Header: $ - -EAPI="2" - -inherit fortran flag-o-matic - -DESCRIPTION="Fragment library for rosetta" -HOMEPAGE="www.rosettacommons.org" -SRC_URI="rosetta3_fragments.tgz" - -LICENSE="|| ( rosetta-academic rosetta-commercial )" -SLOT="0" -KEYWORDS="~amd64 ~x86" -IUSE="" - -RESTRICT="fetch" - -RDEPEND="sci-biology/ncbi-tools - sci-biology/blast-db - sci-biology/psipred" - -S="${WORKDIR}"/${PN/-/_} - -FORTRAN="g77 gfortran ifc" - -pkg_nofetch() { - einfo "Go to ${HOMEPAGE} and get ${PN}.tgz and rename it to ${A}" - einfo "which must be placed in ${DISTDIR}" -} - -src_prepare() { - epatch "${FILESDIR}"/${PV}-nnmake.patch - epatch "${FILESDIR}"/${PV}-chemshift.patch -} - -src_compile() { - append-fflags -ffixed-line-length-132 - - cd "${S}"/nnmake && \ - emake || die - - cd "${S}"/chemshift && \ - emake || die -} - -src_install() { - find . -type d -name ".svn" -exec rm -rf '{}' \; 2> /dev/null - - newbin nnmake/pNNMAKE.gnu pNNMAKE && \ - newbin chemshift/pCHEMSHIFT.gnu pCHEMSHIFT || \ - die "failed to install the bins" - - dobin nnmake/*.pl || die "no additional perl scripts" - - insinto /usr/share/${PN} - doins -r *_database || die - dodoc fragments.README nnmake/{nnmake.README,vall/*.pl} chemshift/chemshift.README || die "no docs" -} |