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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
commit0f80c2db491423f51d091c27d40a9f2b11b7bead (patch)
treee04dca279fc31c42686c46706a31f6a1873f4012 /sci-chemistry
parentpkgcore 0.6.6 (diff)
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Version Bump
(Portage version: 2.2.0_alpha43/cvs/Linux x86_64)
Diffstat (limited to 'sci-chemistry')
-rw-r--r--sci-chemistry/refmac/ChangeLog7
-rw-r--r--sci-chemistry/refmac/refmac-5.6.0119.ebuild86
2 files changed, 92 insertions, 1 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/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
+}