Files
Karl-Michael SchindlerandHerby Gillot 8448284a7c dftd3: new package
dftd3 will be used by the to do package nwchem.
2025-03-31 12:04:58 -04:00

48 lines
1.7 KiB
Tcl

# -*- 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
PortSystem 1.0
PortGroup compilers 1.0
name dftd3
version 3.2.0
revision 0
categories science physics chemistry
license public-domain
maintainers {@kamischi web.de:karl-michael.schindler} openmaintainer
description Dispersion Correction For Quantum Chemical Methods
long_description Dispersion correction for density functionals, Hartree-Fock \
and semi-empirical quantum chemical methods
homepage https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3
master_sites ${homepage}
extract.suffix .tgz
distfiles ${name}${extract.suffix}
checksums sha256 d97cf9758f61aa81fd85425448fbf4a6e8ce07c12e9236739831a3af32880f59 \
rmd160 291acd0a9facd4ac279a00454267cce9e782bbeb \
size 555804
dist_subdir ${name}/${version}
extract.mkdir yes
post-patch {
reinplace -W ${worksrcpath} "s|-static||g" Makefile
reinplace -W ${worksrcpath} "s|gfortran|${configure.f90}|g" Makefile
}
compilers.choose f90
compilers.setup require_fortran
use_configure no
use_parallel_build no
destroot {
xinstall -m 0755 -W ${worksrcpath} ${name} \
${destroot}${prefix}/bin
xinstall -d ${destroot}${prefix}/share/doc/${name}
xinstall -m 0444 -W ${worksrcpath} man.pdf \
${destroot}${prefix}/share/doc/${name}
}
livecheck.url ${homepage}/get_dft-d3
livecheck.type md5
livecheck.md5 779d268280dbff62dc1ca231fe426f69