diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2017-11-13 06:08:40 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2017-11-13 06:08:40 +0000 |
| commit | 40006c879ce311ccae27a714441890854e320537 (patch) | |
| tree | 3a876537849c7393f6389f9737244b260c7e78e2 /science/dkh | |
| parent | 1fd59c0aa86822bb92a5a766f87d41c43b853093 (diff) | |
| download | ports-40006c879ce311ccae27a714441890854e320537.tar.gz ports-40006c879ce311ccae27a714441890854e320537.zip | |
Notes
Diffstat (limited to 'science/dkh')
| -rw-r--r-- | science/dkh/Makefile | 20 | ||||
| -rw-r--r-- | science/dkh/distinfo | 3 | ||||
| -rw-r--r-- | science/dkh/pkg-descr | 10 | ||||
| -rw-r--r-- | science/dkh/pkg-plist | 6 |
4 files changed, 39 insertions, 0 deletions
diff --git a/science/dkh/Makefile b/science/dkh/Makefile new file mode 100644 index 000000000000..381924e10743 --- /dev/null +++ b/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> diff --git a/science/dkh/distinfo b/science/dkh/distinfo new file mode 100644 index 000000000000..57ed6c844ca4 --- /dev/null +++ b/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 diff --git a/science/dkh/pkg-descr b/science/dkh/pkg-descr new file mode 100644 index 000000000000..cdcc6247f05d --- /dev/null +++ b/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 diff --git a/science/dkh/pkg-plist b/science/dkh/pkg-plist new file mode 100644 index 000000000000..11e4b160a5f9 --- /dev/null +++ b/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 |