Another splitted app from ccp4

(Portage version: 2.2_rc62/cvs/Linux x86_64)

4 files changed, 146 insertions, 0 deletions

diff --git a/sci-chemistry/molrep/ChangeLog b/sci-chemistry/molrep/ChangeLog
new file mode 100644
index 000000000000..969c0e2a359a
--- /dev/null
+++ b/sci-chemistry/molrep/ChangeLog
@@ -0,0 +1,10 @@
+# ChangeLog for sci-chemistry/molrep
+# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molrep/ChangeLog,v 1.1 2010/02/06 00:45:50 jlec Exp $
+
+*molrep-10.2.35 (06 Feb 2010)
+
+  06 Feb 2010; Justin Lecher (jlec) <jlec@gentoo.org>
+  +files/10.2.35-respect-FLAGS.patch, +molrep-10.2.35.ebuild:
+  molrep splitted from ccp4
+
diff --git a/sci-chemistry/molrep/files/10.2.35-respect-FLAGS.patch b/sci-chemistry/molrep/files/10.2.35-respect-FLAGS.patch
new file mode 100644
index 000000000000..d81ec793b510
--- /dev/null
+++ b/sci-chemistry/molrep/files/10.2.35-respect-FLAGS.patch
@@ -0,0 +1,61 @@
+--- src/makefile	2009-02-27 16:51:46.492890717 +0100
++++ src/makefile.new	2009-02-27 16:52:18.295619642 +0100
+@@ -5,8 +5,8 @@
+ 
+ BIN = $(MOLREP)/bin
+ 
+-OBJS =  main_molrep_mtz.o molrep.o molrep1.o molrep2.o molrep3.o molrep_prog.o molrep_prog1.o molrep_prog2.o molrep_subr.o molrep_dummy.o molrep_sym.o molrep_unix.o
+-OBJSL =  main_molrep_mtz.o molrep.o molrep1.o molrep2.o molrep3.o molrep_prog.o molrep_prog1.o molrep_prog2.o molrep_subr.o molrep_sym.o molrep_unix.o
++OBJS =  main_molrep_mtz.o molrep.o molrep1.o molrep2.o molrep3.o molrep_prog.o molrep_prog1.o molrep_prog2.o molrep_subr.o molrep_dummy.o molrep_sym_ccp4.o molrep_unix_ccp4.o
++OBJSL =  main_molrep_mtz.o molrep.o molrep1.o molrep2.o molrep3.o molrep_prog.o molrep_prog1.o molrep_prog2.o molrep_subr.o molrep_sym_ccp4.o molrep_unix_ccp4.o
+ 
+ 
+ all: molrep
+@@ -19,31 +19,31 @@
+ # -----------------------------
+ 
+ molrep.o: molrep.f 
+-	$(MR_FORT) -c molrep.f 
++	$(MR_FORT) $(FFLAGS) -c molrep.f
+ molrep1.o: molrep1.f 
+-	$(MR_FORT) -c molrep1.f 
++	$(MR_FORT) $(FFLAGS) -c molrep1.f
+ molrep2.o: molrep2.f 
+-	$(MR_FORT) -c molrep2.f 
++	$(MR_FORT) $(FFLAGS) -c molrep2.f
+ molrep3.o: molrep3.f 
+-	$(MR_FORT) -c molrep3.f 
++	$(MR_FORT) $(FFLAGS) -c molrep3.f
+ molrep_prog.o: molrep_prog.f 
+-	$(MR_FORT) -c molrep_prog.f 
++	$(MR_FORT) $(FFLAGS) -c molrep_prog.f
+ molrep_prog1.o: molrep_prog1.f 
+-	$(MR_FORT) -c molrep_prog1.f 
++	$(MR_FORT) $(FFLAGS) -c molrep_prog1.f
+ molrep_prog2.o: molrep_prog2.f 
+-	$(MR_FORT) -c molrep_prog2.f 
++	$(MR_FORT) $(FFLAGS) -c molrep_prog2.f
+ molrep_subr.o: molrep_subr.f  
+-	$(MR_FORT) -c molrep_subr.f 
+-molrep_sym.o: molrep_sym.f  
+-	$(MR_FORT) -c molrep_sym.f 
++	$(MR_FORT) $(FFLAGS) -c molrep_subr.f
++molrep_sym_ccp4.o: molrep_sym.f  
++	$(MR_FORT) $(FFLAGS) -c molrep_sym_ccp4.f 
+ main_molrep_mtz.o: main_molrep_mtz.f molrep_version.fh molrep_keywords.fh 
+-	$(MR_FORT) -c main_molrep_mtz.f 
+-molrep_unix.o: molrep_unix.f 
+-	$(MR_FORT) -c molrep_unix.f 
++	$(MR_FORT) $(FFLAGS) -c main_molrep_mtz.f 
++molrep_unix_ccp4.o: molrep_unix.f 
++	$(MR_FORT) $(FFLAGS) -c molrep_unix_ccp4.f 
+ molrep_dummy.o: molrep_dummy.f 
+-	$(MR_FORT) -c molrep_dummy.f 
++	$(MR_FORT) $(FFLAGS) -c molrep_dummy.f 
+ 
+ molrep: $(OBJS)
+-	$(MR_FORT) -o $(BIN)/molrep $(OBJSL) $(MR_LIBRARY)
++	$(MR_FORT) $(FFLAGS) $(LDFLAGS) -o $(BIN)/molrep $(OBJSL) $(MR_LIBRARY)
+ 
+ # --------------------------------
+
diff --git a/sci-chemistry/molrep/metadata.xml b/sci-chemistry/molrep/metadata.xml
new file mode 100644
index 000000000000..42f1e996a9a7
--- /dev/null
+++ b/sci-chemistry/molrep/metadata.xml
@@ -0,0 +1,11 @@
+<?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>
+<use>
+	<flag name='extra-test'>Extra long tests</flag>
+</use>
+</pkgmetadata>
diff --git a/sci-chemistry/molrep/molrep-10.2.35.ebuild b/sci-chemistry/molrep/molrep-10.2.35.ebuild
new file mode 100644
index 000000000000..75093dd740fb
--- /dev/null
+++ b/sci-chemistry/molrep/molrep-10.2.35.ebuild
@@ -0,0 +1,64 @@
+# Copyright 1999-2010 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/molrep/molrep-10.2.35.ebuild,v 1.1 2010/02/06 00:45:50 jlec Exp $
+
+EAPI="3"
+
+inherit base multilib toolchain-funcs
+
+DESCRIPTION="molecular replacement program"
+HOMEPAGE="http://www.ysbl.york.ac.uk/~alexei/molrep.html"
+SRC_URI="http://dev.gentooexperimental.org/~jlec/science-dist/${P}.tar.gz
+	 test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )"
+
+LICENSE="ccp4"
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+IUSE="test extra-test"
+
+RDEPEND="
+	>=sci-libs/ccp4-libs-6.1.3
+	sci-libs/mmdb
+	virtual/lapack"
+DEPEND="${RDEPEND}"
+
+S="${WORKDIR}/${PN}"
+
+PATCHES=(
+	"${FILESDIR}"/${PV}-respect-FLAGS.patch
+	)
+
+src_compile() {
+	cd "${S}"/src
+	emake clean || die
+	emake \
+		MR_FORT=$(tc-getFC) \
+		FFLAGS="${FFLAGS}" \
+		LDFLAGS="${LDFLAGS}" \
+		MR_LIBRARY="-L${EPREFIX}/usr/$(get_libdir) -lccp4f -lccp4c -lmmdb -lccif -llapack -lstdc++ -lm" \
+		|| die
+}
+
+src_test() {
+	einfo "Starting tests ..."
+	export PATH="${WORKDIR}/test-framework/scripts:${S}/bin:${PATH}"
+	export CCP4_TEST="${WORKDIR}"/test-framework
+	export CCP4_SCR="${T}"
+	ccp4-run-thorough-tests -v test_molrep || die "nomal test failed"
+
+	use extra-test && \
+		cd "${S}"/molrep_check && \
+			ewarn "Can take a long, long time ..." && \
+			ewarn "Go, take a coffee, lunch, go to sleep and have breakfast ..." && \
+				sed 's:\.\.:\.:g' -i em.bat && \
+				mkdir out && \
+				mkdir scr && \
+				MR_TEST="${S}/bin" bash em.bat && \
+				MR_TEST="${S}/bin" bash mr.bat || \
+				die "extra-test failed"
+}
+
+src_install() {
+	dobin bin/${PN} || die
+	dodoc readme doc/${PN}.rtf || die
+}