# -*- coding: utf-8; mode: tcl; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- vim:fenc=utf-8:ft=tcl:et:sw=4:ts=4:sts=4
github.setup molmod molmod 1.1 v
categories-append chemistry
maintainers mcmaster.ca:yangx59
description Python library with many components that are useful to write molecular modeling programs
long_description MolMod is a python package that is used by Zeobuilder and Tracks. Zeobuilder is \
a GUI toolkit for the interactive construction of complex molecular models. \
Tracks is a collection of molecular dynamics and monte carlo analysis scripts. \
MolMod groups a series of modules that are useful for analyzing molecular modeling \
simulations, and for setting up complex input files. MolMod can also be used as a \
library for batch work, independent of Zeobuilder or Tracks.
homepage https://molmod.github.io/molmod/index.html
checksums rmd160 48b3ca0cca37fbf61720e5642e539c180d087dc3 \
sha256 a9612f0fecf6e69b251034275d1261376f820658dc86f1d5aaf981b24774572a
if {${name} ne ${subport}} {
depends_lib-append port:py${python.version}-numpy \
port:py${python.version}-nose \
port:py${python.version}-sphinx \
port:py${python.version}-matplotlib
reinplace "s|${destroot}${prefix}|${prefix}|" ${destroot}${python.pkgd}/molmod/datadir.txt