From owner-svn-ports-all@freebsd.org Tue Nov 14 18:05:43 2017 Return-Path: Delivered-To: svn-ports-all@mailman.ysv.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2001:1900:2254:206a::19:1]) by mailman.ysv.freebsd.org (Postfix) with ESMTP id EBE53DD997D; Tue, 14 Nov 2017 18:05:43 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org (repo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:0]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (Client did not present a certificate) by mx1.freebsd.org (Postfix) with ESMTPS id C5E1D68DEE; Tue, 14 Nov 2017 18:05:43 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org ([127.0.1.37]) by repo.freebsd.org (8.15.2/8.15.2) with ESMTP id vAEI5gpx073399; Tue, 14 Nov 2017 18:05:42 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id vAEI5gKl073394; Tue, 14 Nov 2017 18:05:42 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201711141805.vAEI5gKl073394@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Tue, 14 Nov 2017 18:05:42 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r454184 - in head/science: . pcmsolver X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: in head/science: . pcmsolver X-SVN-Commit-Revision: 454184 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-BeenThere: svn-ports-all@freebsd.org X-Mailman-Version: 2.1.25 Precedence: list List-Id: SVN commit messages for the ports tree List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Tue, 14 Nov 2017 18:05:44 -0000 Author: yuri Date: Tue Nov 14 18:05:42 2017 New Revision: 454184 URL: https://svnweb.freebsd.org/changeset/ports/454184 Log: New port: science/pcmsolver: API for the Polarizable Continuum Model Approved by: tcberner (mentor) Differential Revision: https://reviews.freebsd.org/D13069 Added: head/science/pcmsolver/ head/science/pcmsolver/Makefile (contents, props changed) head/science/pcmsolver/distinfo (contents, props changed) head/science/pcmsolver/pkg-descr (contents, props changed) head/science/pcmsolver/pkg-plist (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Tue Nov 14 17:59:49 2017 (r454183) +++ head/science/Makefile Tue Nov 14 18:05:42 2017 (r454184) @@ -144,6 +144,7 @@ SUBDIR += p5-Physics-Unit SUBDIR += paje SUBDIR += paraview + SUBDIR += pcmsolver SUBDIR += pnetcdf SUBDIR += psychopy SUBDIR += pulseview Added: head/science/pcmsolver/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/pcmsolver/Makefile Tue Nov 14 18:05:42 2017 (r454184) @@ -0,0 +1,23 @@ +# $FreeBSD$ + +PORTNAME= pcmsolver +DISTVERSIONPREFIX= v +DISTVERSION= 1.1.11 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= API for the Polarizable Continuum Model + +LICENSE= GPLv3 +LICENSE_FILE= ${WRKSRC}/LICENSE + +USES= cmake:outsource fortran python +USE_GITHUB= yes +GH_ACCOUNT= PCMSolver +USE_LDCONFIG= yes + +post-patch: + @${REINPLACE_CMD} -e 's|"-O3 |"$${CMAKE_C_FLAGS} |' \ + ${WRKSRC}/cmake/custom/compilers/*.cmake + +.include Added: head/science/pcmsolver/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/pcmsolver/distinfo Tue Nov 14 18:05:42 2017 (r454184) @@ -0,0 +1,3 @@ +TIMESTAMP = 1510551005 +SHA256 (PCMSolver-pcmsolver-v1.1.11_GH0.tar.gz) = c6af7d2a3ac8c09fc1835c952877b3444601c387a802b749668d162bb6ac6f36 +SIZE (PCMSolver-pcmsolver-v1.1.11_GH0.tar.gz) = 98167952 Added: head/science/pcmsolver/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/pcmsolver/pkg-descr Tue Nov 14 18:05:42 2017 (r454184) @@ -0,0 +1,6 @@ +PCMSolver is a quantum chemistry library that aims to: +* Provide a plug-and-play library for adding the Polarizable Continuum Model + functionality to any quantum chemistry program +* Create a playground for easily extending the implementation of the model + +WWW: https://github.com/PCMSolver/pcmsolver Added: head/science/pcmsolver/pkg-plist ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/pcmsolver/pkg-plist Tue Nov 14 18:05:42 2017 (r454184) @@ -0,0 +1,104 @@ +bin/codata.py +bin/docopt.py +bin/getkw.py +bin/pcmsolver.py +bin/plot_cavity.py +bin/pyparsing.py +bin/run_pcm +include/PCMSolver/Citation.hpp +include/PCMSolver/Config.hpp +include/PCMSolver/Cxx11Workarounds.hpp +include/PCMSolver/ErrorHandling.hpp +include/PCMSolver/FCMangle.hpp +include/PCMSolver/GitInfo.hpp +include/PCMSolver/LoggerInterface.hpp +include/PCMSolver/PCMInput.h +include/PCMSolver/PCMSolverExport.h +include/PCMSolver/PhysicalConstants.hpp +include/PCMSolver/STLUtils.hpp +include/PCMSolver/TimerInterface.hpp +include/PCMSolver/bi_operators/BIOperatorData.hpp +include/PCMSolver/bi_operators/BoundaryIntegralOperator.hpp +include/PCMSolver/bi_operators/Collocation.hpp +include/PCMSolver/bi_operators/IBoundaryIntegralOperator.hpp +include/PCMSolver/bi_operators/Numerical.hpp +include/PCMSolver/bi_operators/Purisima.hpp +include/PCMSolver/cavity/Cavity.hpp +include/PCMSolver/cavity/CavityData.hpp +include/PCMSolver/cavity/Element.hpp +include/PCMSolver/cavity/GePolCavity.hpp +include/PCMSolver/cavity/ICavity.hpp +include/PCMSolver/cavity/RestartCavity.hpp +include/PCMSolver/external/libtaylor/CMakeLists.txt +include/PCMSolver/external/libtaylor/README +include/PCMSolver/external/libtaylor/ctaylor.hpp +include/PCMSolver/external/libtaylor/ctaylor_math.hpp +include/PCMSolver/external/libtaylor/example.cpp +include/PCMSolver/external/libtaylor/micromath.hpp +include/PCMSolver/external/libtaylor/polymul.hpp +include/PCMSolver/external/libtaylor/taylor.hpp +include/PCMSolver/external/libtaylor/taylor_math.hpp +include/PCMSolver/external/libtaylor/tmath.hpp +include/PCMSolver/external/libtaylor/unittest_taylor.cpp +include/PCMSolver/green/AnisotropicLiquid.hpp +include/PCMSolver/green/DerivativeTypes.hpp +include/PCMSolver/green/DerivativeUtils.hpp +include/PCMSolver/green/Green.hpp +include/PCMSolver/green/GreenData.hpp +include/PCMSolver/green/GreenUtils.hpp +include/PCMSolver/green/GreensFunction.hpp +include/PCMSolver/green/IGreensFunction.hpp +include/PCMSolver/green/InterfacesImpl.hpp +include/PCMSolver/green/IonicLiquid.hpp +include/PCMSolver/green/SphericalDiffuse.hpp +include/PCMSolver/green/SphericalSharp.hpp +include/PCMSolver/green/UniformDielectric.hpp +include/PCMSolver/green/Vacuum.hpp +include/PCMSolver/green/dielectric_profile/Anisotropic.hpp +include/PCMSolver/green/dielectric_profile/MembraneTanh.hpp +include/PCMSolver/green/dielectric_profile/Metal.hpp +include/PCMSolver/green/dielectric_profile/OneLayerErf.hpp +include/PCMSolver/green/dielectric_profile/OneLayerTanh.hpp +include/PCMSolver/green/dielectric_profile/ProfileTypes.hpp +include/PCMSolver/green/dielectric_profile/Sharp.hpp +include/PCMSolver/green/dielectric_profile/Uniform.hpp +include/PCMSolver/green/dielectric_profile/Yukawa.hpp +include/PCMSolver/interface/Input.hpp +include/PCMSolver/interface/Meddle.hpp +include/PCMSolver/pcmsolver.h +include/PCMSolver/solver/CPCMSolver.hpp +include/PCMSolver/solver/IEFSolver.hpp +include/PCMSolver/solver/ISolver.hpp +include/PCMSolver/solver/Solver.hpp +include/PCMSolver/solver/SolverData.hpp +include/PCMSolver/solver/SolverImpl.hpp +include/PCMSolver/utils/Atom.hpp +include/PCMSolver/utils/ChargeDistribution.hpp +include/PCMSolver/utils/Factory.hpp +include/PCMSolver/utils/ForId.hpp +include/PCMSolver/utils/FortranCUtils.hpp +include/PCMSolver/utils/Logger.hpp +include/PCMSolver/utils/LoggerImpl.hpp +include/PCMSolver/utils/MathUtils.hpp +include/PCMSolver/utils/Molecule.hpp +include/PCMSolver/utils/QuadratureRules.hpp +include/PCMSolver/utils/Solvent.hpp +include/PCMSolver/utils/Sphere.hpp +include/PCMSolver/utils/SplineFunction.hpp +include/PCMSolver/utils/Stencils.hpp +include/PCMSolver/utils/Symmetry.hpp +include/PCMSolver/utils/Timer.hpp +include/PCMSolver/utils/cnpy.hpp +include/PCMSolver/utils/getkw/Getkw.h +include/PCMSolver/utils/getkw/GetkwError.h +include/PCMSolver/utils/getkw/Keyword.h +include/PCMSolver/utils/getkw/Section.h +lib/libpcm.a +lib/libpcm.so +lib/libpcm.so.1 +share/cmake/PCMSolver/PCMSolverConfig.cmake +share/cmake/PCMSolver/PCMSolverConfigVersion.cmake +share/cmake/PCMSolver/PCMSolverTargets-shared-%%CMAKE_BUILD_TYPE%%.cmake +share/cmake/PCMSolver/PCMSolverTargets-shared.cmake +share/cmake/PCMSolver/PCMSolverTargets-static-%%CMAKE_BUILD_TYPE%%.cmake +share/cmake/PCMSolver/PCMSolverTargets-static.cmake