[gentoo-commits] proj/sci:master commit in: profiles/, sci-chemistry/smmp/files/, sci-chemistry/smmp/

[gentoo-commits] proj/sci:master commit in: profiles/, sci-chemistry/smmp/files/, sci-chemistry/smmp/

[Aisha Tammy]

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>sci-chemistry@gentoo.org</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
-}