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D13080.id.diff
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Index: head/science/Makefile
===================================================================
--- head/science/Makefile
+++ head/science/Makefile
@@ -43,6 +43,7 @@
SUBDIR += dlpoly-classic
SUBDIR += ecs
SUBDIR += epte
+ SUBDIR += erd
SUBDIR += fastcap
SUBDIR += fasthenry
SUBDIR += fisicalab
Index: head/science/erd/Makefile
===================================================================
--- head/science/erd/Makefile
+++ head/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>
Index: head/science/erd/distinfo
===================================================================
--- head/science/erd/distinfo
+++ head/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
Index: head/science/erd/pkg-descr
===================================================================
--- head/science/erd/pkg-descr
+++ head/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
Index: head/science/erd/pkg-plist
===================================================================
--- head/science/erd/pkg-plist
+++ head/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
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