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

5 files changed, 53 insertions, 0 deletions

diff --git a/science/Makefile b/science/Makefile
index df8fffb54a2e..e8cab4244152 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -51,6 +51,7 @@
     SUBDIR += clhep
     SUBDIR += clipper
     SUBDIR += colt
+    SUBDIR += coordgenlibs
     SUBDIR += coot
     SUBDIR += cp2k
     SUBDIR += crf++
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