commit: a72939c6d2b1b3eaddc4f9d31e3ace9919a57a79 Author: Aisha Tammy <gentoo <AT> aisha <DOT> cc> AuthorDate: Wed Dec 30 21:17:37 2020 +0000 Commit: Aisha Tammy <gentoo <AT> aisha <DOT> cc> CommitDate: Wed Dec 30 21:17:37 2020 +0000 URL: https://gitweb.gentoo.org/proj/sci.git/commit/?id=a72939c6
sci-chemistry/smmp: drop dead package Signed-off-by: Aisha Tammy <gentoo <AT> aisha.cc> profiles/package.mask | 1 - sci-chemistry/smmp/files/3.0.5-flags.patch | 81 ------------------------------ sci-chemistry/smmp/metadata.xml | 8 --- sci-chemistry/smmp/smmp-3.0.5.ebuild | 59 ---------------------- 4 files changed, 149 deletions(-) diff --git a/profiles/package.mask b/profiles/package.mask index 2bda530c1..f1328ec4c 100644 --- a/profiles/package.mask +++ b/profiles/package.mask @@ -140,7 +140,6 @@ sci-chemistry/modelfree sci-chemistry/nmrpipe sci-chemistry/polygon sci-chemistry/relion -sci-chemistry/smmp sci-chemistry/talosn sci-chemistry/trajng sci-libs/amber99sbnmr-ildn diff --git a/sci-chemistry/smmp/files/3.0.5-flags.patch b/sci-chemistry/smmp/files/3.0.5-flags.patch deleted file mode 100644 index 6e37fdba8..000000000 --- a/sci-chemistry/smmp/files/3.0.5-flags.patch +++ /dev/null @@ -1,81 +0,0 @@ -diff --git a/Makefile b/Makefile -index adf6cda..5104567 100644 ---- a/Makefile -+++ b/Makefile -@@ -3,15 +3,15 @@ - #.SILENT: - - %_p.o : %_p.f -- $(MPIF90) $(F_FLAGS) $< -+ $(FC) $(CFLAGS) -c $< - - .SUFFIXES: .o .f - .f.o: -- $(F90) $(F_FLAGS) $< -+ $(FC) $(CFLAGS) -c $< - - .SUFFIXES: .o .f90 - .f90.o: -- $(F90) $(F_FLAGS) $< -+ $(FC) $(CFLAGS) -c $< - - # ==================================== Variables for compiling and linking - # L_FLAGS=-g -@@ -87,11 +87,11 @@ anneal canon outpdb minim regul contacts interhbond hbond - # ============================================== Linking - - $(PROG): $(OBJ) $(SOBJ) main.o -- $(F90) -o $(PROG) $(L_FLAGS) main.o $(OBJ) $(SOBJ) -+ $(FC) $(LDFLAGS) $(CFLAGS) -o $(PROG) main.o $(OBJ) $(SOBJ) - - # Build parallel version of SMMP. - parallel: $(OBJ) $(POBJ) main_p.o -- $(MPIF90) -o $(PROG) $(L_FLAGS) main_p.o $(OBJ) $(POBJ) -+ $(FC) $(LDFLAGS) $(CFLAGS) -o $(PROG) main_p.o $(OBJ) $(POBJ) - - # Cross compile for BlueGene/P - bgl: BGL_L_FLAGS = -L$(BGLSYS)/lib -lmpich.rts -lfmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts -qextname=flush -diff --git a/EXAMPLES/Makefile b/EXAMPLES/Makefile -index e30d086..1ccf590 100644 ---- a/EXAMPLES/Makefile -+++ b/EXAMPLES/Makefile -@@ -2,15 +2,15 @@ - - #.SILENT: - %_p.o : %_p.f -- $(MPIF90) $(F_FLAGS) $< -+ $(FC) $(CFLAGS) -c $< - - .SUFFIXES: .o .f - .f.o: -- $(F90) $(F_FLAGS) $< -+ $(FC) $(CFLAGS) -c $< - - .SUFFIXES: .o .f90 - .f90.o: -- $(F90) $(F_FLAGS) $< -+ $(FC) $(CFLAGS) -c $< - - # ==================================== Variables for compiling and linking - # L_FLAGS=-O0 -g -@@ -59,16 +59,16 @@ MCOBJ = ../canon.o ../metropolis.o ../rgyr.o - all: minimization annealing multicanonical regularization parallel_tempering_s # rootmeansquaredev - - minimization: $(BASEOBJ) $(ENOBJ) minimization.o -- $(F90) -o minimization $(L_FLAGS) $(BASEOBJ) $(ENOBJ) minimization.o -+ $(F90) $(LDFLAGS) -o minimization $(BASEOBJ) $(ENOBJ) minimization.o - - annealing: $(BASEOBJ) $(MCOBJS) $(ENOBJ) annealing.o -- $(F90) -o annealing $(L_FLAGS) $(BASEOBJ) $(MCOBJ) $(ENOBJ) ../anneal.o ../zimmer.o annealing.o -+ $(F90) $(LDFLAGS) -o annealing $(BASEOBJ) $(MCOBJ) $(ENOBJ) ../anneal.o ../zimmer.o annealing.o - - multicanonical: $(BASEOBJ) $(MCOBJS) $(ENOBJ) multicanonical.o ../mulcan_par_mod.o -- $(F90) -o multicanonical $(L_FLAGS) $(BASEOBJ) $(MCOBJ) $(ENOBJ) multicanonical.o ../mulcan_par_mod.o -+ $(F90) $(LDFLAGS) -o multicanonical $(BASEOBJ) $(MCOBJ) $(ENOBJ) multicanonical.o ../mulcan_par_mod.o - - regularization: $(BASEOBJ) $(ENOBJ) regularization.o -- $(F90) -o regularization $(L_FLAGS) $(BASEOBJ) $(ENOBJ) regularization.o -+ $(F90) $(LDFLAGS) -o regularization $(BASEOBJ) $(ENOBJ) regularization.o - - # rootmeansquaredev: $(BASEOBJ) $(ENOBJ) rootmeansquaredev.o - # $(F90) -o rootmeansquaredev $(L_FLAGS) $(BASEOBJ) $(ENOBJ) rootmeansquaredev.o diff --git a/sci-chemistry/smmp/metadata.xml b/sci-chemistry/smmp/metadata.xml deleted file mode 100644 index da36ecbfc..000000000 --- a/sci-chemistry/smmp/metadata.xml +++ /dev/null @@ -1,8 +0,0 @@ -<?xml version="1.0" encoding="UTF-8"?> -<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd";> -<pkgmetadata> - <maintainer type="project"> - <email>[email protected]</email> - <name>Gentoo Chemistry Project</name> - </maintainer> -</pkgmetadata> diff --git a/sci-chemistry/smmp/smmp-3.0.5.ebuild b/sci-chemistry/smmp/smmp-3.0.5.ebuild deleted file mode 100644 index a98764754..000000000 --- a/sci-chemistry/smmp/smmp-3.0.5.ebuild +++ /dev/null @@ -1,59 +0,0 @@ -# Copyright 1999-2014 Gentoo Foundation -# Distributed under the terms of the GNU General Public License v2 - -EAPI=5 - -PYTHON_COMPAT=( python2_7 ) - -inherit eutils fortran-2 python-r1 toolchain-funcs - -MY_PN="SMMP" -MY_P="${MY_PN}-${PV}" - -DESCRIPTION="Simple Molecular Mechanics for Proteins" -HOMEPAGE="http://smmp.berlios.de/"; -SRC_URI="mirror://berlios/${PN}/${MY_P}.tar.bz2" - -SLOT="0" -LICENSE="GPL-2" -KEYWORDS="~amd64 ~x86" -IUSE="doc mpi test" - -REQUIRED_USE="${PYTHON_REQUIRED_USE}" - -RDEPEND=" - ${PYTHON_DEPS} - mpi? ( virtual/mpi )" -DEPEND="${RDEPEND} - doc? ( app-doc/doxygen )" - -S="${WORKDIR}/${MY_P}" - -src_prepare() { - epatch "${FILESDIR}"/${PV}-flags.patch -} - -src_compile() { - if use mpi; then - FC="mpif90" - target="parallel" - else - target="${PN}" - fi - - emake ${target} -} - -src_test() { - emake examples - cd EXAMPLES || die - bash smmp.cmd || die -} - -src_install() { - dobin ${PN} - python_moduleinto ${PN} - python_foreach_impl python_domodule *.py - python_foreach_impl python_optimize - dodoc README -}
