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authorJustin Lecher (jlec) <jlec@j-schmitz.net>2009-10-02 21:53:47 +0200
committerJustin Lecher (jlec) <jlec@j-schmitz.net>2009-10-05 09:34:00 +0200
commit594e022ebf772329390f9371cff0247ba35f1eb1 (patch)
tree164465bfc0d6a1f3b9496254b8eb1cea6e24e4a9
parentrefmac version bump to 5.5.105 (diff)
downloadsci-594e022ebf772329390f9371cff0247ba35f1eb1.tar.gz
sci-594e022ebf772329390f9371cff0247ba35f1eb1.tar.bz2
sci-594e022ebf772329390f9371cff0247ba35f1eb1.zip
molrep version bump to 10.2.34
-rw-r--r--sci-chemistry/molrep/ChangeLog6
-rw-r--r--sci-chemistry/molrep/Manifest5
-rw-r--r--sci-chemistry/molrep/files/10.2.34-respect-FLAGS.patch61
-rw-r--r--sci-chemistry/molrep/molrep-10.2.34.ebuild55
4 files changed, 126 insertions, 1 deletions
diff --git a/sci-chemistry/molrep/ChangeLog b/sci-chemistry/molrep/ChangeLog
index 43913ea38..8f6a39989 100644
--- a/sci-chemistry/molrep/ChangeLog
+++ b/sci-chemistry/molrep/ChangeLog
@@ -2,6 +2,12 @@
# Copyright 1999-2009 Gentoo Foundation; Distributed under the GPL v2
# $Header: $
+*molrep-10.2.34 (02 Oct 2009)
+
+ 02 Oct 2009; Justin Lecher (jlec) <jlec@j-schmitz.net>
+ +files/10.2.34-respect-FLAGS.patch, +molrep-10.2.34.ebuild:
+ version bump
+
*molrep-10.2.33 (29 Jul 2009)
29 Jul 2009; Justin Lecher (jlec) <jlec@j-schmitz.net>
diff --git a/sci-chemistry/molrep/Manifest b/sci-chemistry/molrep/Manifest
index b3f13048b..a57945607 100644
--- a/sci-chemistry/molrep/Manifest
+++ b/sci-chemistry/molrep/Manifest
@@ -1,11 +1,14 @@
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
+AUX 10.2.34-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 3601162 RMD160 c75d3512b070c6cff186c8faf93c02a927c0f314 SHA1 1ae001f9fa07c11487ff9c0d9f7f393f119d58a5 SHA256 3df04892a46e21061b9138dd57879741abecddf18bef45c9a98391a8739d589a
+DIST molrep-10.2.34.tar.gz 3601494 RMD160 099dbd8a24204957cdf6432f55de392a5951f667 SHA1 ee089279324e3eeb21044a7e61c4850650c659a8 SHA256 44aae53a61b70bb5c780a0a1ffeff25cc5b1e73387b1fbff9ef88646e2fd78e7
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
EBUILD molrep-10.2.33.ebuild 1160 RMD160 760335990f17b01524937e009f6841c452cce60b SHA1 fbcb65b2d613ce8e6e2b3e224155ef34c8e938a9 SHA256 d064d9b69c369a810330bad8c1e549649d0c35799082f3f14f2ec93a45389d4a
-MISC ChangeLog 906 RMD160 af014fc3f74207f9a300ee38ab04f4460b20e4f9 SHA1 b41c11693f389c22a3f45baf87ce577cceac842a SHA256 100b2461cebffec629cf7e576dfebe3834e09273baf90e3eb2c1a7a1354026a8
+EBUILD molrep-10.2.34.ebuild 1160 RMD160 760335990f17b01524937e009f6841c452cce60b SHA1 fbcb65b2d613ce8e6e2b3e224155ef34c8e938a9 SHA256 d064d9b69c369a810330bad8c1e549649d0c35799082f3f14f2ec93a45389d4a
+MISC ChangeLog 1072 RMD160 9fb300247187f1548ad6030710393b8adaa868ba SHA1 f77ff1e63c800af725d1fb3bf45b77e3332baee5 SHA256 59997de176ea3121cf1efdcc4a4824ae7e58f593350837711ac7c64a57517ef3
MISC metadata.xml 215 RMD160 bc9c07aa91f2f175542244e4e4522a73558210a1 SHA1 facb283386de1c0b6b938cdcd4dde04d1694298b SHA256 13f32353652adbd3d934d41381cfc2cacc9e1127c508cebc73806cc1026ee80c
diff --git a/sci-chemistry/molrep/files/10.2.34-respect-FLAGS.patch b/sci-chemistry/molrep/files/10.2.34-respect-FLAGS.patch
new file mode 100644
index 000000000..d81ec793b
--- /dev/null
+++ b/sci-chemistry/molrep/files/10.2.34-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/molrep-10.2.34.ebuild b/sci-chemistry/molrep/molrep-10.2.34.ebuild
new file mode 100644
index 000000000..09be4f2a0
--- /dev/null
+++ b/sci-chemistry/molrep/molrep-10.2.34.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
+}