New port: science/erd: AcesIII electron repulsion integrals

Approved by:	tcberner (mentor)
Differential Revision:	https://reviews.freebsd.org/D13080

science/Makefile

@@ -43,6 +43,7 @@
     SUBDIR += dlpoly-classic
     SUBDIR += ecs
     SUBDIR += epte
+    SUBDIR += erd
     SUBDIR += fastcap
     SUBDIR += fasthenry
     SUBDIR += fisicalab

science/erd/Makefile

@@ -0,0 +1,22 @@
+# $FreeBSD$
+
+PORTNAME=	erd
+DISTVERSIONPREFIX=	v
+DISTVERSION=	3.0.6
+CATEGORIES=	science
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	AcesIII electron repulsion integrals
+
+LICENSE=	GPLv2
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+USES=		cmake:outsource fortran
+USE_GITHUB=	yes
+GH_ACCOUNT=	psi4
+USE_LDCONFIG=	yes
+
+CMAKE_ARGS=	-DBUILD_SHARED_LIBS:BOOL=ON \
+		-DENABLE_XHOST:BOOL=OFF
+
+.include <bsd.port.mk>

science/erd/distinfo

@@ -0,0 +1,3 @@
+TIMESTAMP = 1510552620
+SHA256 (psi4-erd-v3.0.6_GH0.tar.gz) = ae9a42f7f06bcafad69d95ee66386ccd6ef7b1d1f4f1a2687e6f942245da17de
+SIZE (psi4-erd-v3.0.6_GH0.tar.gz) = 342362

science/erd/pkg-descr

@@ -0,0 +1,8 @@
+Efficient electronic integrals in quantum chemistry, and their generalized
+derivatives for object oriented implementations of electronic structure
+calculations.
+
+Based on the paper:
+* http://onlinelibrary.wiley.com/doi/10.1002/jcc.21018/abstract
+
+WWW: https://github.com/psi4/erd

science/erd/pkg-plist

@@ -0,0 +1,6 @@
+include/ERD/ERD_MANGLE.h
+lib/liberd.so
+share/cmake/erd/erdConfig.cmake
+share/cmake/erd/erdConfigVersion.cmake
+share/cmake/erd/erdTargets-%%CMAKE_BUILD_TYPE%%.cmake
+share/cmake/erd/erdTargets.cmake