svn commit: r482958 - in head/science: . coordgenlibs

[Yuri Victorovich]

Author: yuri
Date: Thu Oct 25 07:36:58 2018
New Revision: 482958
URL: https://svnweb.freebsd.org/changeset/ports/482958

Log:
  New port: science/coordgenlibs: Schrodinger-developed 2D coordinate generation

Added:
  head/science/coordgenlibs/
  head/science/coordgenlibs/Makefile   (contents, props changed)
  head/science/coordgenlibs/distinfo   (contents, props changed)
  head/science/coordgenlibs/pkg-descr   (contents, props changed)
  head/science/coordgenlibs/pkg-plist   (contents, props changed)
Modified:
  head/science/Makefile

Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile	Thu Oct 25 07:24:36 2018	(r482957)
+++ head/science/Makefile	Thu Oct 25 07:36:58 2018	(r482958)
@@ -51,6 +51,7 @@
     SUBDIR += clhep
     SUBDIR += clipper
     SUBDIR += colt
+    SUBDIR += coordgenlibs
     SUBDIR += coot
     SUBDIR += cp2k
     SUBDIR += crf++

Added: head/science/coordgenlibs/Makefile
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/coordgenlibs/Makefile	Thu Oct 25 07:36:58 2018	(r482958)
@@ -0,0 +1,22 @@
+# $FreeBSD$
+
+PORTNAME=	coordgenlibs
+DISTVERSIONPREFIX=	v
+DISTVERSION=	1.1
+CATEGORIES=	science
+
+MAINTAINER=	yuri at 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>

Added: head/science/coordgenlibs/distinfo
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/coordgenlibs/distinfo	Thu Oct 25 07:36:58 2018	(r482958)
@@ -0,0 +1,3 @@
+TIMESTAMP = 1540452456
+SHA256 (schrodinger-coordgenlibs-v1.1_GH0.tar.gz) = ed98793e819ed9a5c4bc1a10cb3335d335cbf69f84f35b78ba4a66389a8dea4f
+SIZE (schrodinger-coordgenlibs-v1.1_GH0.tar.gz) = 131353

Added: head/science/coordgenlibs/pkg-descr
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/coordgenlibs/pkg-descr	Thu Oct 25 07:36:58 2018	(r482958)
@@ -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

Added: head/science/coordgenlibs/pkg-plist
==============================================================================
--- /dev/null	00:00:00 1970	(empty, because file is newly added)
+++ head/science/coordgenlibs/pkg-plist	Thu Oct 25 07:36:58 2018	(r482958)
@@ -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