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authorJustin Lecher <jlec@gentoo.org>2011-07-11 08:59:06 +0000
committerJustin Lecher <jlec@gentoo.org>2011-07-11 08:59:06 +0000
commitd7a68854c14048438cd4ad52c9525ca8ed496ce0 (patch)
tree589b4d0b66a27a7cc5ebf3f74da0261c9143fcbe /sci-chemistry/refmac
parentpkgcore 0.6.6 (diff)
downloadhistorical-d7a68854c14048438cd4ad52c9525ca8ed496ce0.tar.gz
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Version Bump
Package-Manager: portage-2.2.0_alpha43/cvs/Linux x86_64
Diffstat (limited to 'sci-chemistry/refmac')
-rw-r--r--sci-chemistry/refmac/ChangeLog7
-rw-r--r--sci-chemistry/refmac/Manifest10
-rw-r--r--sci-chemistry/refmac/refmac-5.6.0119.ebuild86
3 files changed, 98 insertions, 5 deletions
diff --git a/sci-chemistry/refmac/ChangeLog b/sci-chemistry/refmac/ChangeLog
index 232c631c0ca2..9e45bd5b8c82 100644
--- a/sci-chemistry/refmac/ChangeLog
+++ b/sci-chemistry/refmac/ChangeLog
@@ -1,6 +1,11 @@
# ChangeLog for sci-chemistry/refmac
# Copyright 1999-2011 Gentoo Foundation; Distributed under the GPL v2
-# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.48 2011/06/29 11:11:20 jlec Exp $
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.49 2011/07/11 08:59:06 jlec Exp $
+
+*refmac-5.6.0119 (11 Jul 2011)
+
+ 11 Jul 2011; Justin Lecher <jlec@gentoo.org> +refmac-5.6.0119.ebuild:
+ Version Bump
29 Jun 2011; Justin Lecher <jlec@gentoo.org> refmac-5.5.0110-r2.ebuild,
refmac-5.5.0110-r3.ebuild, refmac-5.6.0117.ebuild, metadata.xml:
diff --git a/sci-chemistry/refmac/Manifest b/sci-chemistry/refmac/Manifest
index 79601eb34911..869648990cfc 100644
--- a/sci-chemistry/refmac/Manifest
+++ b/sci-chemistry/refmac/Manifest
@@ -7,17 +7,19 @@ AUX 5.5.0110-gcc4.6.patch 473 RMD160 9912c28fec294080ee8e26f27067eaf40317f41d SH
AUX 5.6.0110-allow-dynamic-linking.patch 16438 RMD160 149cfb8af3f35afc61c26d99d42992f6baa2f265 SHA1 dc5e1b2a95311b043afbd0de5e2b606ee5d42cf8 SHA256 ac854d5e755b05809d4015763b6ea8552f1733d5bc5073778ce82c812083624b
AUX 5.6.0116-allow-dynamic-linking.patch 16438 RMD160 149cfb8af3f35afc61c26d99d42992f6baa2f265 SHA1 dc5e1b2a95311b043afbd0de5e2b606ee5d42cf8 SHA256 ac854d5e755b05809d4015763b6ea8552f1733d5bc5073778ce82c812083624b
DIST refmac5.6_source_v5.6.0117.tar.gz 1291407 RMD160 690beb9ba7ffa59ca4326f91c7ab8ff58b1b3a4c SHA1 9dea92fb08230538d0c1ef14e84383666905a03f SHA256 17a0a63d7d9307a2694e5f3e09d8c4d99b47cbe57ef55ba7cbe16cb2b7fd3590
+DIST refmac5.6_source_v5.6.0119.tar.gz 1401231 RMD160 3c2d74b7f9cbe6c172ac76e478a055077150c11e SHA1 f3fb383fb30a5a7841af833ca84fa08033d8c780 SHA256 928085930ba8893814bffd6f959c91bdad97b4ad27f6703455a4e3ad93b2ef1e
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-5.5.0110-r2.ebuild 2193 RMD160 d15e5d23dfb33ace94dc9d3d56d3c02a59690f9d SHA1 bd23072a69463aed6b476780b9759c57ec451854 SHA256 a8f8b2cc925982d331483c982db592a788f2fbbfeecb23dacf8e15b83bd38dce
EBUILD refmac-5.5.0110-r3.ebuild 2244 RMD160 b00d318dbc50ca46484970c33df72475e2cc2ab9 SHA1 892969800a89e1030747111b179c7b65be0b4814 SHA256 2e5df31c1fec48928db20599b733d519de838b8038e9d8be9acfdd4e7a4435ae
EBUILD refmac-5.6.0117.ebuild 2240 RMD160 9cfe05e5038928c6da6c6e79fb26274a869d0c93 SHA1 5c6e2064cd83a1d48762a56f732ddffed73d2650 SHA256 9c0f1e5bc426ff2fc613cbaac035dbe1c6274cae857f8f2e9798c6f814accf3b
-MISC ChangeLog 9575 RMD160 a424b3cfd7331f1367e41072a60eb5602c36ce81 SHA1 50a1de26397619c9fcd5580e897cf67249bde19c SHA256 8ea187f354884c4600d727cb11f39fcd93c4052223b66bb9bb199c6b49125cfe
+EBUILD refmac-5.6.0119.ebuild 2253 RMD160 0bc21bc33bed6306faaa262f933c444ed73ba083 SHA1 7aff0798cfd0e7f2637f1212891d353c1129806c SHA256 b8e7be972a2631ce22833388e42b74f2af41463111a1209f359d86845c130307
+MISC ChangeLog 9695 RMD160 da45d0388d0e2d802d9f2cd91cae57da67cdf2e8 SHA1 d5c4c1b142578b890c75d93c911f7c89a302ead8 SHA256 704a78b8988576c0ffed560e072c4494d6994a508425b8c5671b7c900f1b6700
MISC metadata.xml 316 RMD160 917d597c9b5e463cfaa0fc0ba55ff4da57666287 SHA1 69b22933f054e2716b8f7266a5d7b727beec2739 SHA256 ddb73bd401586087617638304ef518e463312dbaa2c343c305cb22a2c93a1a1f
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diff --git a/sci-chemistry/refmac/refmac-5.6.0119.ebuild b/sci-chemistry/refmac/refmac-5.6.0119.ebuild
new file mode 100644
index 000000000000..c4726e13eb50
--- /dev/null
+++ b/sci-chemistry/refmac/refmac-5.6.0119.ebuild
@@ -0,0 +1,86 @@
+# Copyright 1999-2011 Gentoo Foundation
+# Distributed under the terms of the GNU General Public License v2
+# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/refmac-5.6.0119.ebuild,v 1.1 2011/07/11 08:59:06 jlec Exp $
+
+EAPI=4
+
+inherit base fortran-2 flag-o-matic toolchain-funcs versionator
+
+MY_PV="$(get_version_component_range 1-2)_source_v${PV}"
+
+DESCRIPTION="Macromolecular crystallographic refinement program"
+HOMEPAGE="http://www.ysbl.york.ac.uk/~garib/refmac"
+SRC_URI="
+ ${HOMEPAGE}/data/refmac_experimental/${PN}${MY_PV}.tar.gz
+ test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )"
+
+SLOT="0"
+LICENSE="ccp4"
+KEYWORDS="~amd64 ~ppc ~x86 ~amd64-linux ~x86-linux"
+IUSE="test"
+
+RDEPEND="
+ !sci-chemistry/makecif
+ >=sci-libs/ccp4-libs-6.1.3-r7
+ sci-libs/mmdb
+ >sci-libs/monomer-db-1
+ virtual/blas
+ virtual/fortran
+ virtual/lapack"
+DEPEND="${RDEPEND}"
+
+FORTRAN_STANDARD="77 90"
+
+S="${WORKDIR}"
+
+PATCHES=(
+ "${FILESDIR}"/5.6.0116-allow-dynamic-linking.patch
+ )
+
+src_prepare() {
+ base_src_prepare
+ use test && epatch "${FILESDIR}"/5.5-test.log.patch
+ [[ ${FC} == *gfortran* ]] && \
+ append-fflags -fno-second-underscore && \
+ append-cflags -DGFORTRAN -DPROTOTYPE && \
+ append-libs -lgfortran -lgfortranbegin -lstdc++
+ [[ ${FC} == *ifort* ]] && \
+ append-libs -lstdc++
+}
+
+src_compile() {
+ emake \
+ FC=$(tc-getFC) \
+ CC=$(tc-getCC) \
+ CXX=$(tc-getCXX) \
+ COPTIM="${CFLAGS}" \
+ FOPTIM="${FFLAGS:- -O2}" \
+ VERSION="" \
+ XFFLAGS="-fwhole-file" \
+ XCFLAGS="" \
+ LLIBCCP="-lccp4f -lccp4c -lccif $(pkg-config --libs mmdb)" \
+ LLIBLAPACK="$(pkg-config --libs lapack blas)" \
+ LLIBOTHERS="${LIBS}"
+}
+
+src_test() {
+ einfo "Starting tests ..."
+ source "${EPREFIX}/etc/profile.d/40ccp4.setup.sh"
+ 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 FreeTwin header2matr; do
+ exeinto /usr/libexec/ccp4/bin/
+ doexe ${i}
+ dosym ../libexec/ccp4/bin/${i} /usr/bin/${i}
+ done
+ dosym refmac /usr/bin/refmac5
+ dosym refmac /usr/libexec/ccp4/bin/refmac5
+ dodoc *.pdf
+}