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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2018-10-25 07:36:58 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2018-10-25 07:36:58 +0000 |
| commit | aa05902c835c1f9c843d9ee76627b84c3ad772f8 (patch) | |
| tree | 99456d1f5fefb044174cd83dd7a6bc9df113f904 /science/coordgenlibs | |
| parent | 540b0cdd6eb884d608654bc3ac8547f6a801902e (diff) | |
| download | ports-aa05902c835c1f9c843d9ee76627b84c3ad772f8.tar.gz ports-aa05902c835c1f9c843d9ee76627b84c3ad772f8.zip | |
New port: science/coordgenlibs: Schrodinger-developed 2D coordinate generation
Notes
Notes:
svn path=/head/; revision=482958
Diffstat (limited to 'science/coordgenlibs')
| -rw-r--r-- | science/coordgenlibs/Makefile | 22 | ||||
| -rw-r--r-- | science/coordgenlibs/distinfo | 3 | ||||
| -rw-r--r-- | science/coordgenlibs/pkg-descr | 7 | ||||
| -rw-r--r-- | science/coordgenlibs/pkg-plist | 20 |
4 files changed, 52 insertions, 0 deletions
diff --git a/science/coordgenlibs/Makefile b/science/coordgenlibs/Makefile new file mode 100644 index 000000000000..228750e16f11 --- /dev/null +++ b/science/coordgenlibs/Makefile @@ -0,0 +1,22 @@ +# $FreeBSD$ + +PORTNAME= coordgenlibs +DISTVERSIONPREFIX= v +DISTVERSION= 1.1 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Schrodinger-developed 2D coordinate generation + +LICENSE= BSD3CLAUSE +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= ${LOCALBASE}/include/boost/dynamic_bitset.hpp:devel/boost-libs +LIB_DEPENDS= libmaeparser.so:science/maeparser + +USES= cmake:outsource compiler:c++11-lang localbase:ldflags +USE_GITHUB= yes +GH_ACCOUNT= schrodinger +USE_LDCONFIG= yes + +.include <bsd.port.mk> diff --git a/science/coordgenlibs/distinfo b/science/coordgenlibs/distinfo new file mode 100644 index 000000000000..ddbe7773b36d --- /dev/null +++ b/science/coordgenlibs/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1540452456 +SHA256 (schrodinger-coordgenlibs-v1.1_GH0.tar.gz) = ed98793e819ed9a5c4bc1a10cb3335d335cbf69f84f35b78ba4a66389a8dea4f +SIZE (schrodinger-coordgenlibs-v1.1_GH0.tar.gz) = 131353 diff --git a/science/coordgenlibs/pkg-descr b/science/coordgenlibs/pkg-descr new file mode 100644 index 000000000000..b10f9e0f8d78 --- /dev/null +++ b/science/coordgenlibs/pkg-descr @@ -0,0 +1,7 @@ +This is Schrodinger, Inc's 2D coordinate generation. The emphasis of these +algorithms are on quality of 2D coordinates rather than speed of generation. +The algorithm distinguishes itself from many others by doing well with both +macrocycles and metal complexes. It also does extremely well on typical +drug-like small molecules, and has been validated on millions of compounds. + +WWW: https://github.com/schrodinger/coordgenlibs diff --git a/science/coordgenlibs/pkg-plist b/science/coordgenlibs/pkg-plist new file mode 100644 index 000000000000..c41aea4b5cfb --- /dev/null +++ b/science/coordgenlibs/pkg-plist @@ -0,0 +1,20 @@ +include/coordgen/CoordgenFragmentBuilder.h +include/coordgen/CoordgenFragmenter.h +include/coordgen/CoordgenMacrocycleBuilder.h +include/coordgen/CoordgenMinimizer.h +include/coordgen/sketcherMinimizer.h +include/coordgen/sketcherMinimizerAtom.h +include/coordgen/sketcherMinimizerBendInteraction.h +include/coordgen/sketcherMinimizerBond.h +include/coordgen/sketcherMinimizerClashInteraction.h +include/coordgen/sketcherMinimizerEZConstrainInteraction.h +include/coordgen/sketcherMinimizerFragment.h +include/coordgen/sketcherMinimizerInteraction.h +include/coordgen/sketcherMinimizerMarchingSquares.h +include/coordgen/sketcherMinimizerMaths.h +include/coordgen/sketcherMinimizerMolecule.h +include/coordgen/sketcherMinimizerResidue.h +include/coordgen/sketcherMinimizerResidueInteraction.h +include/coordgen/sketcherMinimizerRing.h +include/coordgen/sketcherMinimizerStretchInteraction.h +lib/libcoordgenlibs.so |