Date: Sun, 22 Sep 2019 19:06:44 +0000 (UTC) From: "Jason W. Bacon" <jwb@FreeBSD.org> To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r512600 - in head/science: . packmol Message-ID: <201909221906.x8MJ6ij5037677@repo.freebsd.org>
next in thread | raw e-mail | index | archive | help
Author: jwb Date: Sun Sep 22 19:06:43 2019 New Revision: 512600 URL: https://svnweb.freebsd.org/changeset/ports/512600 Log: science/packmol: Pack molecules in defined regions of space PACKMOL creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. The packing guarantees that short range repulsive interactions do not disrupt the simulations. Added: head/science/packmol/ head/science/packmol/Makefile (contents, props changed) head/science/packmol/distinfo (contents, props changed) head/science/packmol/pkg-descr (contents, props changed) head/science/packmol/pkg-message (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Sun Sep 22 18:51:06 2019 (r512599) +++ head/science/Makefile Sun Sep 22 19:06:43 2019 (r512600) @@ -210,6 +210,7 @@ SUBDIR += p5-Mcstas-Tools SUBDIR += p5-PerlMol SUBDIR += p5-Physics-Unit + SUBDIR += packmol SUBDIR += pagmo2 SUBDIR += paje SUBDIR += paraview Added: head/science/packmol/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/packmol/Makefile Sun Sep 22 19:06:43 2019 (r512600) @@ -0,0 +1,19 @@ +# $FreeBSD$ + +PORTNAME= packmol +DISTVERSION= 18.169 +CATEGORIES= science + +MAINTAINER= jwb@FreeBSD.org +COMMENT= Pack molecules in defined regions of space + +LICENSE= MIT +LICENSE_FILE= ${WRKSRC}/LICENSE + +USES= cmake:noninja fortran +USE_GITHUB= yes +GH_ACCOUNT= mcubeg + +PLIST_FILES= bin/packmol + +.include <bsd.port.mk> Added: head/science/packmol/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/packmol/distinfo Sun Sep 22 19:06:43 2019 (r512600) @@ -0,0 +1,3 @@ +TIMESTAMP = 1563043114 +SHA256 (mcubeg-packmol-18.169_GH0.tar.gz) = 8acf2cbc742a609e763eb00cae55aecd09af2edb4cc4e931706e2f06ac380de9 +SIZE (mcubeg-packmol-18.169_GH0.tar.gz) = 169840 Added: head/science/packmol/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/packmol/pkg-descr Sun Sep 22 19:06:43 2019 (r512600) @@ -0,0 +1,5 @@ +PACKMOL creates an initial point for molecular dynamics simulations by packing +molecules in defined regions of space. The packing guarantees that short range +repulsive interactions do not disrupt the simulations. + +WWW: http://m3g.iqm.unicamp.br/packmol/home.shtml Added: head/science/packmol/pkg-message ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/packmol/pkg-message Sun Sep 22 19:06:43 2019 (r512600) @@ -0,0 +1,10 @@ +[ +{ type: install + message: <<EOM + +To ensure continued development of PACKMOL, please register at + +http://m3g.iqm.unicamp.br/packmol/download.shtml +EOM +} +]
Want to link to this message? Use this URL: <https://mail-archive.FreeBSD.org/cgi/mid.cgi?201909221906.x8MJ6ij5037677>