Index: head/science/Makefile =================================================================== --- head/science/Makefile +++ head/science/Makefile @@ -51,6 +51,7 @@ SUBDIR += fvcom-mpi SUBDIR += fvm SUBDIR += gchemutils + SUBDIR += gdma SUBDIR += getdp SUBDIR += ghemical SUBDIR += ghmm Index: head/science/gdma/Makefile =================================================================== --- head/science/gdma/Makefile +++ head/science/gdma/Makefile @@ -0,0 +1,23 @@ +# $FreeBSD$ + +PORTNAME= gdma +DISTVERSIONPREFIX= v +DISTVERSION= 2.2.6 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Anthony Stone's Gaussian Distributed Multipole Analysis + +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 \ + -DENABLE_OPENMP:BOOL=ON + +.include Index: head/science/gdma/distinfo =================================================================== --- head/science/gdma/distinfo +++ head/science/gdma/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1510782499 +SHA256 (psi4-gdma-v2.2.6_GH0.tar.gz) = 7744b9626a1ce499f15be9d7d0317f3b3cb126a8451f0067319e1d48a0301b72 +SIZE (psi4-gdma-v2.2.6_GH0.tar.gz) = 106606 Index: head/science/gdma/pkg-descr =================================================================== --- head/science/gdma/pkg-descr +++ head/science/gdma/pkg-descr @@ -0,0 +1,6 @@ +GDMA has been in the ab initio quantum chemistry package Psi4. + +It is written by Prof. Anthony J. Stone of Cambridge University +in fortran. + +WWW: https://github.com/psi4/gdma Index: head/science/gdma/pkg-plist =================================================================== --- head/science/gdma/pkg-plist +++ head/science/gdma/pkg-plist @@ -0,0 +1,6 @@ +include/GDMA/GDMA_MANGLE.h +lib/libgdma.so +share/cmake/gdma/gdmaConfig.cmake +share/cmake/gdma/gdmaConfigVersion.cmake +share/cmake/gdma/gdmaTargets-%%CMAKE_BUILD_TYPE%%.cmake +share/cmake/gdma/gdmaTargets.cmake