initial version of DFT-D4 stable package

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Sebastian Ehlert 2020-01-10 13:39:42 +01:00
commit a8947fb60f
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3 changed files with 70 additions and 0 deletions

22
.SRCINFO Normal file
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@ -0,0 +1,22 @@
pkgbase = dftd4
pkgdesc = A Generally Applicable Atomic-Charge Dependent London Dispersion Correction
pkgver = 2.4.0
pkgrel = 1
url = https://github.com/dftd4/dftd4
arch = x86_64
license = LGPL3
makedepends = git
makedepends = meson
makedepends = ninja
depends = gcc-fortran
depends = openblas
depends = lapack
source = dftd4::https://github.com/dftd4/dftd4/archive/v2.4.0.tar.gz
source = dftd4-build.patch
md5sums = 97602f1a1239528f6e2487f31607c1e0
md5sums = f69b8bac09b6f4dd29b1aaca763913c7
sha256sums = 6c3c8e07a4574ed5f54275944596a9845c38a9ed6c7217dc8769ebf95340bee9
sha256sums = 36ce3527ec42095836a84b5aa4050acab602b9fca5eb95ea20bf28c299d086f7
pkgname = dftd4

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PKGBUILD Normal file
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# Maintainer: Sebastian Ehlert <awvwgk at gmail dot com>
pkgname=dftd4
pkgver=2.4.0
pkgrel=1
arch=('x86_64')
url="https://github.com/dftd4/dftd4"
depends=('gcc-fortran' 'openblas' 'lapack')
makedepends=('git' 'meson' 'ninja')
license=('LGPL3')
pkgdesc="A Generally Applicable Atomic-Charge Dependent London Dispersion Correction"
source=("${pkgname}::https://github.com/dftd4/dftd4/archive/v2.4.0.tar.gz"
"dftd4-build.patch")
sha256sums=('6c3c8e07a4574ed5f54275944596a9845c38a9ed6c7217dc8769ebf95340bee9'
'36ce3527ec42095836a84b5aa4050acab602b9fca5eb95ea20bf28c299d086f7')
md5sums=('97602f1a1239528f6e2487f31607c1e0'
'f69b8bac09b6f4dd29b1aaca763913c7')
build() {
cd "${srcdir}/${pkgname}-${pkgver}"
patch < "${srcdir}"/dftd4-build.patch
mkdir -p "${srcdir}/${pkgname}-${pkgver}"/_build
cd "${srcdir}/${pkgname}-${pkgver}"/_build
meson setup . .. \
--buildtype release \
--warnlevel 0 \
--prefix=/usr \
-Dla_backend=openblas
ninja
}
package() {
cd "${srcdir}/${pkgname}-${pkgver}"/_build
DESTDIR="$pkgdir" ninja install
}

13
dftd4-build.patch Normal file
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diff --git a/meson.build b/meson.build
index ea1685c..2f0479b 100644
--- a/meson.build
+++ b/meson.build
@@ -6,7 +6,7 @@ project('dftd4', 'fortran',
conf = configuration_data()
conf.set('version', meson.project_version())
-conf.set('commit', run_command(find_program('git'),'show','-s','--format=%h').stdout().strip())
+conf.set('commit', 'aur')
conf.set('date', run_command(find_program('date'),'-I').stdout().strip())
conf.set('author', run_command(find_program('whoami')).stdout().strip())
conf.set('origin', run_command(find_program('hostname')).stdout().strip())