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| author |   Donnie Berkholz <dberkholz@gentoo.org> | 2011-05-26 09:02:25 -0500 |
|---|---|---|
| committer | Donnie Berkholz <dberkholz@gentoo.org> | 2011-05-26 09:03:04 -0500 |
| commit | 338e9df0c0c9b94a81e8878f236ccd1b7a06ed4f (patch) | |
| tree | 1bc9df54bec075fb7c952923d020b1fcb96f8bdd | |
| parent | refmac: merged to main tree. (diff) | |
| download | dberkholz-338e9df0c0c9b94a81e8878f236ccd1b7a06ed4f.tar.gz dberkholz-338e9df0c0c9b94a81e8878f236ccd1b7a06ed4f.tar.bz2 dberkholz-338e9df0c0c9b94a81e8878f236ccd1b7a06ed4f.zip | |
rdkit: new ebuild, mostly broken work-in-progress.
| -rw-r--r-- | sci-chemistry/rdkit/Manifest | 2 | ||||
| -rw-r--r-- | sci-chemistry/rdkit/rdkit-2010.2.1.ebuild | 40 |
2 files changed, 42 insertions, 0 deletions
diff --git a/sci-chemistry/rdkit/Manifest b/sci-chemistry/rdkit/Manifest new file mode 100644 index 0000000..1984118 --- /dev/null +++ b/sci-chemistry/rdkit/Manifest @@ -0,0 +1,2 @@ +DIST RDKit_Q22010_1.tgz 9816639 RMD160 baa227dd08438a11dce7e720006db5c865c3914e SHA1 1d2931041e1f205ef43a661102a062353f3afd6f SHA256 58cc0757ecd2ddd1f33fc860f296da69ac281d512d00a6cd9340a9e596a4e0ee +EBUILD rdkit-2010.2.1.ebuild 1055 RMD160 1ef777fc55276e4afd34b02c3c8de084814ccef5 SHA1 f70bb5fe8951a20115d9fbaade5c7fb25cb9331a SHA256 cd4aac33eb5fdec6e05d95ba270b76f971779fca16a08f9378a7b386ef410064 diff --git a/sci-chemistry/rdkit/rdkit-2010.2.1.ebuild b/sci-chemistry/rdkit/rdkit-2010.2.1.ebuild new file mode 100644 index 0000000..e3a4984 --- /dev/null +++ b/sci-chemistry/rdkit/rdkit-2010.2.1.ebuild @@ -0,0 +1,40 @@ +# Copyright 1999-2010 Gentoo Foundation +# Distributed under the terms of the GNU General Public License v2 +# $Header: $ + +EAPI=2 +CMAKE_MIN_VERSION=2.8 + +inherit cmake-utils versionator + +MAJOR_V=$(get_version_component_range 1) +Q_V=$(get_version_component_range 2) +MICRO_V=$(get_version_component_range 3) +MY_P="RDKit_Q${Q_V}${MAJOR_V}_${MICRO_V}" + +DESCRIPTION="www.rdkit.org/" +HOMEPAGE="A software suite for cheminformatics, computational chemistry, and predictive modeling" +SRC_URI="mirror://sourceforge/${PN}/${MY_P}.tgz" +LICENSE="BSD-3" +SLOT="0" +KEYWORDS="~amd64" +IUSE="" +RDEPEND=">=dev-lang/python-2.5 + dev-db/sqlite:3 + dev-python/numpy + dev-python/imaging + dev-python/matplotlib + dev-python/aggdraw + >=dev-libs/boost-1.40" +DEPEND="${RDEPEND} + sys-devel/flex + sys-devel/bison" +S=${WORKDIR}/${MY_P} + +src_test() { + pushd ${CMAKE_BUILD_DIR} >/dev/null + sqlite3 ../Data/RDTests.sqlt < ../rdkit/Dbase/test_data/RDTests.sqlite || die + sqlite3 ../Data/RDData.sqlt < ../rdkit/Dbase/test_data/RDData.sqlite || die + ctest || die "Tests failed" + popd >/dev/null +} |