# ChangeLog for sci-chemistry/refmac
# Copyright 1999-2010 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.3 2010/03/28 20:43:07 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.4 2010/05/13 09:59:22 jlec Exp $
+
+*refmac-5.5.0110 (13 May 2010)
+
+ 13 May 2010; Justin Lecher <jlec@gentoo.org>
+ +files/5.5.0110-allow-dynamic-linking.patch, +refmac-5.5.0110.ebuild:
+ Version Bump
28 Mar 2010; Justin Lecher <jlec@gentoo.org> refmac-5.5.0109.ebuild:
Keyworded for ~x86-linux ~amd64-linux
AUX 5.5-allow-dynamic-linking.patch 2025 RMD160 b4324061b5468aedce6d37fc17049711231e677d SHA1 d04e47048302bd7df59d470a9657289871f42721 SHA256 410ffe2a7dee8dd30376355298319f7cc413fa2ff0765a1f77f02cb975e4a23a
AUX 5.5-test.log.patch 1146 RMD160 0ea6293e8ecde3b9ae12658a523e3c30a5c9f01b SHA1 d026fdea6a487754f7e48ec24bcf4851a613b6d1 SHA256 d2c2a09f44e525dc255bc2ac93ca4194b24ca1fe58c31f0e3b5c32e439dfe2e7
+AUX 5.5.0110-allow-dynamic-linking.patch 2265 RMD160 191b90c619a3a0a6cd71b819b4517d639f9912e0 SHA1 23df6c19a6fa9a41ed19d4ec36bd3130ffdb40b7 SHA256 ed10babfa6f9521b1b8e0dd574aa5fa4207d64bcd57332e97f0b35039b66942b
DIST refmac_5.5.0109.tar.gz 1326779 RMD160 3b603c13638407cceb907bd43ac0a971b587c116 SHA1 3cc35a55df71bac4de3eec9cf0e690e221ae3c86 SHA256 38d416c94e1f86a0676d48d7ddaeb4af272970b8cd6b084e70aa38481327c59e
+DIST refmac_5.5.0110.tar.gz 1326832 RMD160 6613ca8b70e54e7827f8ff02b7d497560cb83e39 SHA1 ba2e38db6c88550bd901b474de881d6514b4d74e SHA256 1353fb1042586ec8fa37d0a90f274890d0ccc02377af5216200662338dfe08ca
DIST test-framework.tar.gz 130933173 RMD160 7122539dc713615dca2ddaddfd8d152cd22624d0 SHA1 1d3e3019a67afb9b2346e919c859d402d3250fea SHA256 df050a2a29da80518cb0616a0bbeb82298ea0721549348d15353bf0f66240605
EBUILD refmac-5.5.0109.ebuild 1736 RMD160 4db9926be6b3cb3d17e7e1dd1bbf56d2bf34271a SHA1 daf39f7a3d57471dbaf2c217ca49fb38a36dd911 SHA256 26ce3f5cdddae57f5f6b35ed835cb826f8f3d4de3f645abec040754cc92fff9e
-MISC ChangeLog 672 RMD160 debf5af13a4e8043ee87f5eec0ab8f350a9fe1da SHA1 acbd171de3cac9a91f421e21b3c51232d79f1d07 SHA256 f7e742ebab04dc7592ee15c5536fc360fd7da72ba695ac8116fe3c686b72ab13
+EBUILD refmac-5.5.0110.ebuild 1701 RMD160 883737572c45172240906385abd54cfe8b951046 SHA1 232c1a1e96fdd29b0a92ff27c4326e37be785cd8 SHA256 dfcab3e1100049e6af534c3d2803114ff2a64fc47a0b533ffd90f0ec11febe23
+MISC ChangeLog 839 RMD160 ec3b096c7acbcad631b82983c307ad833922193a SHA1 bce52666de418a198c24299d650a9eb977db6bdf SHA256 8585f199d9bf4b1a7aaaf7a257e7ea34ca7e72c7efc38a841f21a636fc50b0ee
MISC metadata.xml 311 RMD160 df83b13d491a71b729455b664088d89ddbde1c8c SHA1 fffd2a5645181aa12ac9b6f74da9a011cdcf1b97 SHA256 782521c7e16d7eec82d7b7e7c43102806e7f72bc7366401808b1e1ac6e26045a
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--- /dev/null
+diff --git a/makefile_refmac.inc1 b/makefile_refmac.inc1
+index 371d84d..643bf5e 100644
+--- a/makefile_refmac.inc1
++++ b/makefile_refmac.inc1
+@@ -68,9 +68,7 @@ messy_pdb.o \
+ bridge.o \
+ i0.o \
+ i1.o \
+-chbevl.o \
+-$(LLIBCIF) \
+-$(LLIBLAPACK)
++chbevl.o
+ #$(LLIBCCP) \
+ #crt0.o \
+ #heavy.o \
+@@ -95,8 +93,7 @@ make_unix_ccp4.o \
+ emin.o \
+ libcheck_min.o \
+ mol2_file.o \
+-sdf_files.o \
+-$(LLIBCCP)
++sdf_files.o
+
+ SUBM = \
+ main_makecif.o \
+@@ -116,9 +113,7 @@ make_rst2.o \
+ make_PDB.o \
+ makecif.o \
+ make_unix_ccp4.o \
+-make_vdw.o \
+-$(LLIBCCP) \
+-$(LLIBCIF)
++make_vdw.o
+
+ SUBT = \
+ tlsgroups.o \
+@@ -142,9 +137,7 @@ make_refmac_dummy.o \
+ inout_routines.o \
+ errwrt_1.o \
+ linalgebra.o \
+-subnumrec.o \
+-$(LLIBCCP) \
+-$(LLIBCIF)
++subnumrec.o
+ #--------------------------------------------------------------------------------
+
+ ed = echo 'g/^CMDW-5.0/s// /@w@q@' | tr "@" "\012" | ed -s
+@@ -154,16 +147,16 @@ ed = echo 'g/^CMDW-5.0/s// /@w@q@' | tr "@" "\012" | ed -s
+ all: refmac libcheck makecif
+
+ refmac: $(SUBR)
+- $(FC) $(FFLAGS) $(LDFLAGF)-o refmac${VERSION} ${SUBR} $(LLIBOTHERS) $(LLIBCCP)
++ $(FC) $(FFLAGS) $(LDFLAGS) -o refmac${VERSION} ${SUBR} $(LLIBOTHERS) $(LLIBCCP) $(LLIBCIF) $(LLIBLAPACK)
+
+ libcheck: $(SUBL)
+- $(FC) $(FFLAGS) -o libcheck${VERSION} $(SUBL)
++ $(FC) $(FFLAGS) $(LDFLAGS) -o libcheck${VERSION} $(SUBL) $(LLIBCCP)
+
+ makecif: $(SUBM)
+- $(FC) $(FFLAGS) -o makecif${VERSION} $(SUBM)
++ $(FC) $(FFLAGS) $(LDFLAGS) -o makecif${VERSION} $(SUBM) $(LLIBCCP) $(LLIBCIF)
+
+ tlsgroups: $(SUBT)
+- $(FC) $(FFLAGS) -o tlsgroups${VERSION} $(SUBT)
++ $(FC) $(FFLAGS) $(LDFLAGS) -o tlsgroups${VERSION} $(SUBT) $(LLIBCCP) $(LLIBCIF)
+
+ clean:
+ /bin/rm *.o
--- /dev/null
+# Copyright 1999-2010 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.5.0110.ebuild,v 1.1 2010/05/13 09:59:22 jlec Exp $
+
+EAPI="2"
+
+inherit fortran base toolchain-funcs versionator
+
+DESCRIPTION="Macromolecular crystallographic refinement program"
+HOMEPAGE="http://www.ysbl.york.ac.uk/~garib/refmac/"
+SRC_URI="${HOMEPAGE}data/refmac_stable/refmac_${PV}.tar.gz
+ test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )"
+
+SLOT="0"
+LICENSE="ccp4"
+KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux"
+IUSE="test"
+
+RDEPEND="
+ sci-libs/ccp4-libs
+ sci-libs/mmdb
+ virtual/blas
+ virtual/lapack"
+DEPEND="${RDEPEND}"
+
+S="${WORKDIR}"
+
+PATCHES=(
+ "${FILESDIR}"/${PV}-allow-dynamic-linking.patch
+ )
+
+src_prepare() {
+ base_src_prepare
+ use test && epatch "${FILESDIR}"/$(get_version_component_range 1-2 ${PV})-test.log.patch
+}
+
+src_compile() {
+ emake \
+ FC=$(tc-getFC) \
+ CC=$(tc-getCC) \
+ CXX=$(tc-getCXX) \
+ COPTIM="${CFLAGS}" \
+ FOPTIM="${FFLAGS:- -O2}" \
+ VERSION="" \
+ XFFLAGS="-fno-second-underscore" \
+ LLIBCCP="-lccp4f -lccp4c -lccif -lmmdb -lstdc++" \
+ LLIBLAPACK="-llapack -lblas" \
+ || die
+}
+
+src_test() {
+ einfo "Starting tests ..."
+ export PATH="${WORKDIR}/test-framework/scripts:${S}:${PATH}"
+ export CCP4_TEST="${WORKDIR}"/test-framework
+ export CCP4_SCR="${T}"
+ ln -sf refmac "${S}"/refmac5
+ sed '/^ANISOU/d' -i ${CCP4_TEST}/data/pdb/1vr7.pdb
+ ccp4-run-thorough-tests -v test_refmac5 || die
+}
+
+src_install() {
+ for i in refmac libcheck makecif; do
+ dobin ${i} || die
+ done
+ dosym refmac /usr/bin/refmac5 || die
+ dodoc refmac_keywords.pdf bugs_and_features.pdf || die
+}
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