Date: Tue, 14 Nov 2017 18:44:05 +0000 (UTC) From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r454190 - in head/science: . erd Message-ID: <201711141844.vAEIi5WK091675@repo.freebsd.org>
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Author: yuri Date: Tue Nov 14 18:44:05 2017 New Revision: 454190 URL: https://svnweb.freebsd.org/changeset/ports/454190 Log: New port: science/erd: AcesIII electron repulsion integrals Approved by: tcberner (mentor) Differential Revision: https://reviews.freebsd.org/D13080 Added: head/science/erd/ head/science/erd/Makefile (contents, props changed) head/science/erd/distinfo (contents, props changed) head/science/erd/pkg-descr (contents, props changed) head/science/erd/pkg-plist (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Tue Nov 14 18:38:52 2017 (r454189) +++ head/science/Makefile Tue Nov 14 18:44:05 2017 (r454190) @@ -43,6 +43,7 @@ SUBDIR += dlpoly-classic SUBDIR += ecs SUBDIR += epte + SUBDIR += erd SUBDIR += fastcap SUBDIR += fasthenry SUBDIR += fisicalab Added: head/science/erd/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/erd/Makefile Tue Nov 14 18:44:05 2017 (r454190) @@ -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> Added: head/science/erd/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/erd/distinfo Tue Nov 14 18:44:05 2017 (r454190) @@ -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 Added: head/science/erd/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/erd/pkg-descr Tue Nov 14 18:44:05 2017 (r454190) @@ -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 Added: head/science/erd/pkg-plist ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/erd/pkg-plist Tue Nov 14 18:44:05 2017 (r454190) @@ -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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