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Index: head/science/Makefile
===================================================================
--- head/science/Makefile
+++ head/science/Makefile
@@ -39,6 +39,7 @@
SUBDIR += crf++
SUBDIR += dcl
SUBDIR += devisor
+ SUBDIR += dkh
SUBDIR += dlpoly-classic
SUBDIR += ecs
SUBDIR += epte
Index: head/science/dkh/Makefile
===================================================================
--- head/science/dkh/Makefile
+++ head/science/dkh/Makefile
@@ -0,0 +1,20 @@
+# $FreeBSD$
+
+PORTNAME= dkh
+DISTVERSIONPREFIX= v
+DISTVERSION= 1.2
+CATEGORIES= science
+
+MAINTAINER= yuri@FreeBSD.org
+COMMENT= Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic correction
+
+LICENSE= GPLv3
+
+USES= cmake:outsource fortran
+USE_GITHUB= yes
+GH_ACCOUNT= psi4
+USE_LDCONFIG= yes
+
+CMAKE_ARGS= -DBUILD_SHARED_LIBS:BOOL=ON
+
+.include <bsd.port.mk>
Index: head/science/dkh/distinfo
===================================================================
--- head/science/dkh/distinfo
+++ head/science/dkh/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1510543279
+SHA256 (psi4-dkh-v1.2_GH0.tar.gz) = 757cd4f9c1bf9a1c63c980e4478115b5a2a750b80b477522d7090d2326e43a1d
+SIZE (psi4-dkh-v1.2_GH0.tar.gz) = 15669
Index: head/science/dkh/pkg-descr
===================================================================
--- head/science/dkh/pkg-descr
+++ head/science/dkh/pkg-descr
@@ -0,0 +1,10 @@
+Computation of Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic
+correction at 2nd-4th order wrapped in CMake for the Psi4 project.
+
+It is based on these publications:
+* A. Wolf, M. Reiher, B. A. Hess, J. Chem. Phys. 117, 9215 (2002);
+ http://dx.doi.org/10.1063/1.1515314
+* M. Reiher, A. Wolf, J. Chem. Phys. 121, 10945 (2004);
+ http://dx.doi.org/10.1063/1.1818681
+
+WWW: http://www.reiher.ethz.ch/software/dkh-x2c.html
Index: head/science/dkh/pkg-plist
===================================================================
--- head/science/dkh/pkg-plist
+++ head/science/dkh/pkg-plist
@@ -0,0 +1,6 @@
+include/DKH/DKH_MANGLE.h
+lib/libdkh.so
+share/cmake/dkh/dkhConfig.cmake
+share/cmake/dkh/dkhConfigVersion.cmake
+share/cmake/dkh/dkhTargets-%%CMAKE_BUILD_TYPE%%.cmake
+share/cmake/dkh/dkhTargets.cmake

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