mirror/freebsd-ports
1
0
Fork 0
mirror of https://git.FreeBSD.org/ports.git synced 2024-10-18 19:49:40 +00:00
Code Issues Releases Activity

science/packmol: Pack molecules in defined regions of space

Browse Source 
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.
This commit is contained in:
Jason W. Bacon 2019-09-22 19:06:43 +00:00
parent 6d9dab2ef3
commit d7784cdd16
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=512600
5 changed files with 38 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
science/Makefile
View File

@ -210,6 +210,7 @@
SUBDIR += p5-Mcstas-Tools
SUBDIR += p5-PerlMol
SUBDIR += p5-Physics-Unit
SUBDIR += packmol
SUBDIR += pagmo2
SUBDIR += paje
SUBDIR += paraview

19
science/packmol/Makefile Normal file
View File

@ -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>

3
science/packmol/distinfo Normal file
View File

@ -0,0 +1,3 @@
TIMESTAMP = 1563043114
SHA256 (mcubeg-packmol-18.169_GH0.tar.gz) = 8acf2cbc742a609e763eb00cae55aecd09af2edb4cc4e931706e2f06ac380de9
SIZE (mcubeg-packmol-18.169_GH0.tar.gz) = 169840

5
science/packmol/pkg-descr Normal file
View File

@ -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

10
science/packmol/pkg-message Normal file
View File

@ -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
}
]