molrep bump to 10.2.33

4 files changed, 90 insertions, 13 deletions

diff --git a/sci-chemistry/molrep/ChangeLog b/sci-chemistry/molrep/ChangeLog
index f662ba0b7..43913ea38 100644
--- a/sci-chemistry/molrep/ChangeLog
+++ b/sci-chemistry/molrep/ChangeLog
@@ -2,6 +2,13 @@
 # Copyright 1999-2009 Gentoo Foundation; Distributed under the GPL v2
 # $Header: $
 
+*molrep-10.2.33 (29 Jul 2009)
+
+  29 Jul 2009; Justin Lecher (jlec) <jlec@j-schmitz.net>
+  -files/10.2.24-respect-FLAGS.patchbak, +molrep-10.2.33.ebuild,
+  +files/10.2.33-respect-FLAGS.patch:
+  version bump
+
 *molrep-10.2.32 (01 Jul 2009)
 
   01 Jul 2009; Justin Lecher (jlec) <jlec@j-schmitz.net>
diff --git a/sci-chemistry/molrep/Manifest b/sci-chemistry/molrep/Manifest
index 1b2b7fc03..14aac2809 100644
--- a/sci-chemistry/molrep/Manifest
+++ b/sci-chemistry/molrep/Manifest
@@ -1,9 +1,11 @@
-AUX 10.2.24-respect-FLAGS.patchbak 1729 RMD160 ec37f01a8909a6c1f2ba643aa3e88daa76865226 SHA1 80c01a0b7982fdd62a907309ccfdfa51037136a1 SHA256 cf84b22ba3a48cccb039f53fcd9725952ac6b322919d65230bf60789a16bf40b
 AUX 10.2.27-respect-FLAGS.patch 2376 RMD160 d11071cc402375b2376b6202f960b6f909d1b8df SHA1 7c1ea85188776bbf1054ef18efd55c04343ba187 SHA256 30b55e61663e217c1ee5ef12fe9954046016e303f77f9ff52caa6959c3e3eaa5
 AUX 10.2.32-respect-FLAGS.patch 2368 RMD160 4f24b345f0c78de0c0222abfef987d61fe1356d0 SHA1 bc445d646208de7e879a5989b66296fd89b2fc96 SHA256 809d9f290a1eb59b8fc5904328e72c30b65d3be821a61a1bff050bc446bdc991
+AUX 10.2.33-respect-FLAGS.patch 2368 RMD160 4f24b345f0c78de0c0222abfef987d61fe1356d0 SHA1 bc445d646208de7e879a5989b66296fd89b2fc96 SHA256 809d9f290a1eb59b8fc5904328e72c30b65d3be821a61a1bff050bc446bdc991
 DIST molrep-10.2.27.tar.gz 3595088 RMD160 6e36b6bf992fb306b67de6e483a3487c5fc21da3 SHA1 04d1ecdbd62498703d3c9f3a7d31659074f75c66 SHA256 85c15c827936540134ab65ea9de5a13faa789edeea0f39f65ec1b319ca43c42a
 DIST molrep-10.2.32.tar.gz 3601054 RMD160 bc71b85de92871d540073b1df48e4df7be843a5a SHA1 514a902306bfdb606a4975f95a31859392ff51f7 SHA256 d6736d11cef2638eb4534d65c31871396d3404c8a3011d55bad81fecd810a8b7
+DIST molrep-10.2.33.tar.gz 3601155 RMD160 e0259ddb935c039af27d8ce338341d893da743ad SHA1 37f261ee159342bb9c0487d115265c73aaed295b SHA256 f986aa5653349c692cff522aa6bba3c5b8672251e90d6daf39f10c49539a00ce
 EBUILD molrep-10.2.27.ebuild 1160 RMD160 b1f07fbe73c3b00b494fc18e1b9a267e2c575a3d SHA1 4c134783e6212b7d36a90d8f8237b71bc54ee31e SHA256 81e4901a4e5fb86e1af154de28eac6be0c4c142b4d145a9e4c054ac2b342e15b
 EBUILD molrep-10.2.32.ebuild 1160 RMD160 760335990f17b01524937e009f6841c452cce60b SHA1 fbcb65b2d613ce8e6e2b3e224155ef34c8e938a9 SHA256 d064d9b69c369a810330bad8c1e549649d0c35799082f3f14f2ec93a45389d4a
-MISC ChangeLog 699 RMD160 d1f03022f4649e788f398f7e8780385611fa1883 SHA1 19f059c4e20c3bd4465f9f772d7cb8c0548e8090 SHA256 08322277ba869fd9e294f9da0485a3e292b484f2f1248abf6a27570b49e04886
+EBUILD molrep-10.2.33.ebuild 1160 RMD160 760335990f17b01524937e009f6841c452cce60b SHA1 fbcb65b2d613ce8e6e2b3e224155ef34c8e938a9 SHA256 d064d9b69c369a810330bad8c1e549649d0c35799082f3f14f2ec93a45389d4a
+MISC ChangeLog 906 RMD160 af014fc3f74207f9a300ee38ab04f4460b20e4f9 SHA1 b41c11693f389c22a3f45baf87ce577cceac842a SHA256 100b2461cebffec629cf7e576dfebe3834e09273baf90e3eb2c1a7a1354026a8
 MISC metadata.xml 215 RMD160 bc9c07aa91f2f175542244e4e4522a73558210a1 SHA1 facb283386de1c0b6b938cdcd4dde04d1694298b SHA256 13f32353652adbd3d934d41381cfc2cacc9e1127c508cebc73806cc1026ee80c
diff --git a/sci-chemistry/molrep/files/10.2.24-respect-FLAGS.patchbak b/sci-chemistry/molrep/files/10.2.33-respect-FLAGS.patch
index 89f789ad0..d81ec793b 100644
--- a/sci-chemistry/molrep/files/10.2.24-respect-FLAGS.patchbak
+++ b/sci-chemistry/molrep/files/10.2.33-respect-FLAGS.patch
@@ -1,40 +1,53 @@
 --- 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 molrep_version.fh
++	$(MR_FORT) $(FFLAGS) -c molrep.f
  molrep1.o: molrep1.f 
 -	$(MR_FORT) -c molrep1.f 
-+	$(MR_FORT) $(FFLAGS) -c molrep1.f mr_crd_com.fh
++	$(MR_FORT) $(FFLAGS) -c molrep1.f
  molrep2.o: molrep2.f 
 -	$(MR_FORT) -c molrep2.f 
-+	$(MR_FORT) $(FFLAGS) -c molrep2.f mr_crd_com.fh
++	$(MR_FORT) $(FFLAGS) -c molrep2.f
  molrep3.o: molrep3.f 
 -	$(MR_FORT) -c molrep3.f 
-+	$(MR_FORT) $(FFLAGS) -c molrep3.f mr_crd_com.fh
++	$(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 mr_crd_com.fh mr_crd2_com.fh
++	$(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 mr_crd_com.fh
++	$(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 mr_crd_com.fh
++	$(MR_FORT) $(FFLAGS) -c molrep_prog2.f
  molrep_subr.o: molrep_subr.f  
 -	$(MR_FORT) -c molrep_subr.f 
-+	$(MR_FORT) $(FFLAGS) -c molrep_subr.f mr_crd_com.fh mr_crd2_com.fh
- molrep_sym.o: molrep_sym.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 
-+	$(MR_FORT) $(FFLAGS) -c main_molrep_mtz.f 
- molrep_unix.o: molrep_unix.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 
diff --git a/sci-chemistry/molrep/molrep-10.2.33.ebuild b/sci-chemistry/molrep/molrep-10.2.33.ebuild
new file mode 100644
index 000000000..09be4f2a0
--- /dev/null
+++ b/sci-chemistry/molrep/molrep-10.2.33.ebuild
@@ -0,0 +1,55 @@
+# Copyright 1999-2009 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: $
+
+EAPI="2"
+
+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/${P}.tar.gz"
+
+LICENSE="ccp4"
+
+SLOT="0"
+KEYWORDS="~amd64 ~x86"
+
+IUSE=""
+RDEPEND=">=sci-libs/ccp4-libs-6.1.1
+	virtual/lapack"
+DEPEND="${RDEPEND}"
+
+S="${WORKDIR}/${PN}"
+
+PATCHES=(
+	"${FILESDIR}"/${PV}-respect-FLAGS.patch
+	)
+
+src_compile() {
+	cd "${S}"/src
+	emake \
+		MR_FORT=$(tc-getFC) \
+		FFLAGS="${FFLAGS}" \
+		LDFLAGS="${LDFLAGS}" \
+		MR_LIBRARY="-L/usr/$(get_libdir) -lccp4f -lccp4c -lmmdb -lccif -llapack -lstdc++ -lm" \
+	|| die
+}
+
+src_test() {
+	ewarn "Can take a long, long time ..."
+	ewarn "Go, take a coffee, lunch, go to sleep and have breakfast ..."
+	cd molrep_check && \
+		sed 's:\.\.:\.:g' -i em.bat && \
+		mkdir out && \
+		mkdir scr && \
+		MR_TEST="${S}/bin" bash em.bat && \
+		MR_TEST="${S}/bin" bash mr.bat || \
+		die "test failed"
+}
+
+src_install() {
+	dobin bin/${PN} || die
+
+	dodoc readme doc/${PN}.rtf || die
+}