diff options
-rw-r--r-- | sci-chemistry/refmac/ChangeLog | 7 | ||||
-rw-r--r-- | sci-chemistry/refmac/Manifest | 10 | ||||
-rw-r--r-- | sci-chemistry/refmac/refmac-5.6.0091.ebuild | 71 |
3 files changed, 83 insertions, 5 deletions
diff --git a/sci-chemistry/refmac/ChangeLog b/sci-chemistry/refmac/ChangeLog index 4d52c97f4be3..1c898422f1b8 100644 --- a/sci-chemistry/refmac/ChangeLog +++ b/sci-chemistry/refmac/ChangeLog @@ -1,6 +1,11 @@ # 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 1.22 2010/11/04 21:47:00 jlec Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/refmac/ChangeLog,v 1.23 2010/11/06 15:39:25 jlec Exp $ + +*refmac-5.6.0091 (06 Nov 2010) + + 06 Nov 2010; Justin Lecher <jlec@gentoo.org> +refmac-5.6.0091.ebuild: + Version Bump *refmac-5.6.0090 (04 Nov 2010) diff --git a/sci-chemistry/refmac/Manifest b/sci-chemistry/refmac/Manifest index 0dc59d06047f..35399b57f01c 100644 --- a/sci-chemistry/refmac/Manifest +++ b/sci-chemistry/refmac/Manifest @@ -19,6 +19,7 @@ DIST refmac5.6_source_v5.6.0086.tar.gz 1276868 RMD160 dae01bd49871ff483f8bc8058b DIST refmac5.6_source_v5.6.0088.tar.gz 1376837 RMD160 aaf7c3bb8846ad28a04580af5bd78c7af0838d03 SHA1 23aae26208efe37020dd02a3825976c97fce8613 SHA256 d2b28f24890f6333359c7351ee8430103ad925343ce5c47803e794e03ea40141 DIST refmac5.6_source_v5.6.0089.tar.gz 1376948 RMD160 0bab32d553c178168e4cc1155d3430bc71fb4c4f SHA1 c51acc5d1a896f0fbdb3982d587a9d7bb67f4db4 SHA256 036cdd6e39dbd0fd712daa552f2eb8a7c0442992cf03c9ca1fc231e1729750bf DIST refmac5.6_source_v5.6.0090.tar.gz 1377041 RMD160 b94a527bd72ef7fd0ac154963c0eb7ad236e5e02 SHA1 1d1d69098daf0d004e359d51a7859126f6eec6e7 SHA256 2f2d50fd15ae26e360babd6ab1cb164a48a714ca0d7bb7d711a866d73d4fbf34 +DIST refmac5.6_source_v5.6.0091.tar.gz 1377042 RMD160 784ac8bc8b339c416af37443f07db39be6f7732f SHA1 24a49f40a05f26f2d1497293558e268ae5528502 SHA256 4863d01620f1951e1591ee253a2dea814f50f37c2f2a611dcca004d0fc5053a4 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 @@ -30,12 +31,13 @@ EBUILD refmac-5.6.0086.ebuild 1786 RMD160 2ed810e339b67e19c32cb5c08f51caffa0e4a6 EBUILD refmac-5.6.0088.ebuild 1807 RMD160 11669262e2dfa49b416c803408608aea19d13cd6 SHA1 52f78c5d4c9e3849e1e49fb1bec8b82f3e3703fc SHA256 73ba767ef2be57e9e6f4076f634715caf505344eefa126b2fcb4e34f76f0dbfc EBUILD refmac-5.6.0089.ebuild 1807 RMD160 049fbafd64bff2f10e6b196af2bb5ce2b91a79ce SHA1 c4ed3e2cb3c02ee9ed0f4383b2cef3aa026276bb SHA256 a01d0b65fb4b5cafa6dd904cd6d1c6f2724ca2433944e9bb4771b64067aec647 EBUILD refmac-5.6.0090.ebuild 1810 RMD160 32fd1db0b6dc76dc837f35cc6f7b758bafd0d1d9 SHA1 e0635b186576ace02f4bdb6f9146f93f4a24001d SHA256 809a3385b9b4df8ce4fbab96343af9ba67abf3e83e5a51ea003831f861af014f -MISC ChangeLog 3914 RMD160 dc46f28ab5a6defc53e27487debc35392149758a SHA1 b62b9e9d3e2654b0316f0396bfeaa15002c86e00 SHA256 26163f206434e1ecf1f2a72939e15381000a2e03652293014a6b1cb5157fe135 +EBUILD refmac-5.6.0091.ebuild 1810 RMD160 c13d6735273e41ab92d0490135d79bfc052aa4b8 SHA1 2f2f26c125158cf976ac25991c2f685e324027d4 SHA256 b8be721babeeeba72929c1f60cd4e5fee0794a3a61f6e1f893a4dc2114fd8206 +MISC ChangeLog 4034 RMD160 5f95a8a66147dbac3b39a4fe8d3f43008d9533d7 SHA1 9adc63a94fcefbc0d093087243a63919a2d28f30 SHA256 2682bb48105a2ee8d137ad97ad2f32315ffd3867aa7d71cfffec2bb565ada02b MISC metadata.xml 311 RMD160 df83b13d491a71b729455b664088d89ddbde1c8c SHA1 fffd2a5645181aa12ac9b6f74da9a011cdcf1b97 SHA256 782521c7e16d7eec82d7b7e7c43102806e7f72bc7366401808b1e1ac6e26045a -----BEGIN PGP SIGNATURE----- Version: GnuPG v2.0.16 (GNU/Linux) -iEYEARECAAYFAkzTKdkACgkQgAnW8HDreRb61ACfYfHjngtwHyqY2ib3awUIWd8Y -Xd8An1tzgMqnx+ZAe7CaPG78WP8T24hy -=Jzpi +iEYEARECAAYFAkzVdrIACgkQgAnW8HDreRY1fQCgvUkFqDlFtAKnLcPR5iTANRpl +F+MAn1RLg46nd1NRHXkQr+UcW+u1xKi1 +=PTjV -----END PGP SIGNATURE----- diff --git a/sci-chemistry/refmac/refmac-5.6.0091.ebuild b/sci-chemistry/refmac/refmac-5.6.0091.ebuild new file mode 100644 index 000000000000..8251a1a7ddf6 --- /dev/null +++ b/sci-chemistry/refmac/refmac-5.6.0091.ebuild @@ -0,0 +1,71 @@ +# 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-5.6.0091.ebuild,v 1.1 2010/11/06 15:39:25 jlec Exp $ + +EAPI="2" + +inherit fortran base 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}${MY_PV}.tar.gz + test? ( http://dev.gentooexperimental.org/~jlec/distfiles/test-framework.tar.gz )" + +SLOT="0" +LICENSE="ccp4" +KEYWORDS="~amd64 ~x86 ~amd64-linux ~x86-linux" +IUSE="test" + +RDEPEND=" + sci-libs/ccp4-libs + sci-libs/mmdb + >sci-libs/monomer-db-1 + virtual/blas + virtual/lapack" +DEPEND="${RDEPEND}" + +S="${WORKDIR}" + +PATCHES=( + "${FILESDIR}"/5.6.0089-allow-dynamic-linking.patch + ) + +src_prepare() { + base_src_prepare + use test && epatch "${FILESDIR}"/5.5-test.log.patch +} + +src_compile() { + emake \ + FC=$(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="$(pkg-config --libs lapack blas)" \ + || die +} + +src_test() { + einfo "Starting tests ..." + export PATH="${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 FreeTwin header2matr; do + exeinto /usr/libexec/ccp4/bin/ + doexe ${i} || die + dosym ../libexec/ccp4/bin/${i} /usr/bin/${i} + done + dosym refmac /usr/bin/refmac5 || die +} |