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# Maintainer: banana-bred <j.forer@posteo.net>
pkgname="molden"
pkgver=7.3
pkgrel=5
pkgdesc="A program for molecular and electronic structure visualization"
arch=('i686' 'x86_64')
url="https://www.theochem.ru.nl/molden/"
license=('custom')
groups=()
depends=('mesa' 'glu')
makedepends=(
'vi'
'gcc-fortran'
'xorgproto'
'libx11'
'makedepend'
'libxmu'
)
optdepends=(
'openbabel: to create 2D images of the molecules in a .sdf file'
'wget: to fetch PDB from rcsb.org'
)
provides=('molden')
conflicts=()
replaces=()
backup=()
options=()
install=
changelog=
source=(
"https://ftp.science.ru.nl/Molden/${pkgname}${pkgver}.tar.gz"
)
noextract=()
sha256sums=('870f4fa6635229791bb09bbbd07f51456b2c90101d73564dc47ed7769b8c07a1')
prepare() {
cd "molden${pkgver}"
# Patch to compile with gfortran 10+
# Original contribution by Panadestein on 5/31/2020
sed -i 's/FFLAGS += -g ${AFLAG}/& -fallow-argument-mismatch/g' makefile
sed -i 's/FFLAGS = -g ${AFLAG}/& -fallow-argument-mismatch/g' docker/makefile
# -- use mkstemp instead of mktemp
sed -i 's/mktemp/mkstemp/g' src/xwin.c
# -- ensure Wno-implicit-function-declaration is used to suppress this warning that becomes an error
sed -i "106s/^/# /; 109s/^/# /" makefile
sed -i "68s/^/# /; 71s/^/# /" docker/makefile
# -- get the path to the current gcc version to add as an include directory for 'surf'
_gccInclude="$(echo "$(dirname "$(gcc -print-prog-name=cc1)")/include" | sed 's/\//\\\//g')"
# -- update include directories for surf
sed -i "s/\(^INCLUDE\s*=\).*/\1 -I .\/ -I ${_gccInclude}/" src/surf/Makefile
}
build() {
cd "molden${pkgver}"
make -k
}
package() {
cd "molden${pkgver}"
install -t "$pkgdir/usr/bin/" -Dm755 bin/{molden,gmolden,ambfor,ambmd,surf}
install -t "$pkgdir/usr/share/doc/$pkgname" -Dm755 doc/figures.ps.Z doc/manual.ps.Z doc/manual.txt.Z
install -t "$pkgdir/usr/share/licenses/$pkgname/" -Dm755 CopyRight MOLDEN_COMMERCIAL_LICENSE REGISTER
}
# vim: ts=2 sw=2 et :
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