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| author | Jason W. Bacon <jwb@FreeBSD.org> | 2019-09-22 19:06:43 +0000 |
|---|---|---|
| committer | Jason W. Bacon <jwb@FreeBSD.org> | 2019-09-22 19:06:43 +0000 |
| commit | d7784cdd1633e8c6416f2722f94bd2e99989325e (patch) | |
| tree | a32593a11280c021f24c629c80f65988bf94f218 /science/packmol | |
| parent | 6d9dab2ef34fe9d3c7ce65056b892b2a4b685bcb (diff) | |
| download | ports-d7784cdd1633e8c6416f2722f94bd2e99989325e.tar.gz ports-d7784cdd1633e8c6416f2722f94bd2e99989325e.zip | |
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.
Notes
Notes:
svn path=/head/; revision=512600
Diffstat (limited to 'science/packmol')
| -rw-r--r-- | science/packmol/Makefile | 19 | ||||
| -rw-r--r-- | science/packmol/distinfo | 3 | ||||
| -rw-r--r-- | science/packmol/pkg-descr | 5 | ||||
| -rw-r--r-- | science/packmol/pkg-message | 10 |
4 files changed, 37 insertions, 0 deletions
diff --git a/science/packmol/Makefile b/science/packmol/Makefile new file mode 100644 index 000000000000..7a755b1a8f5e --- /dev/null +++ b/science/packmol/Makefile @@ -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> diff --git a/science/packmol/distinfo b/science/packmol/distinfo new file mode 100644 index 000000000000..a598b7f167d4 --- /dev/null +++ b/science/packmol/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1563043114 +SHA256 (mcubeg-packmol-18.169_GH0.tar.gz) = 8acf2cbc742a609e763eb00cae55aecd09af2edb4cc4e931706e2f06ac380de9 +SIZE (mcubeg-packmol-18.169_GH0.tar.gz) = 169840 diff --git a/science/packmol/pkg-descr b/science/packmol/pkg-descr new file mode 100644 index 000000000000..bbc3ca5154ae --- /dev/null +++ b/science/packmol/pkg-descr @@ -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 diff --git a/science/packmol/pkg-message b/science/packmol/pkg-message new file mode 100644 index 000000000000..8ffd9e822894 --- /dev/null +++ b/science/packmol/pkg-message @@ -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 +} +] |