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initial version of DFT-D4 stable package
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commit
a8947fb60f
3 changed files with 70 additions and 0 deletions
22
.SRCINFO
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22
.SRCINFO
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@ -0,0 +1,22 @@
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pkgbase = dftd4
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pkgdesc = A Generally Applicable Atomic-Charge Dependent London Dispersion Correction
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pkgver = 2.4.0
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pkgrel = 1
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url = https://github.com/dftd4/dftd4
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arch = x86_64
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license = LGPL3
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makedepends = git
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makedepends = meson
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makedepends = ninja
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depends = gcc-fortran
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depends = openblas
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depends = lapack
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source = dftd4::https://github.com/dftd4/dftd4/archive/v2.4.0.tar.gz
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source = dftd4-build.patch
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md5sums = 97602f1a1239528f6e2487f31607c1e0
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md5sums = f69b8bac09b6f4dd29b1aaca763913c7
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sha256sums = 6c3c8e07a4574ed5f54275944596a9845c38a9ed6c7217dc8769ebf95340bee9
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sha256sums = 36ce3527ec42095836a84b5aa4050acab602b9fca5eb95ea20bf28c299d086f7
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pkgname = dftd4
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35
PKGBUILD
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35
PKGBUILD
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@ -0,0 +1,35 @@
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# Maintainer: Sebastian Ehlert <awvwgk at gmail dot com>
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pkgname=dftd4
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pkgver=2.4.0
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pkgrel=1
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arch=('x86_64')
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url="https://github.com/dftd4/dftd4"
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depends=('gcc-fortran' 'openblas' 'lapack')
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makedepends=('git' 'meson' 'ninja')
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license=('LGPL3')
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pkgdesc="A Generally Applicable Atomic-Charge Dependent London Dispersion Correction"
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source=("${pkgname}::https://github.com/dftd4/dftd4/archive/v2.4.0.tar.gz"
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"dftd4-build.patch")
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sha256sums=('6c3c8e07a4574ed5f54275944596a9845c38a9ed6c7217dc8769ebf95340bee9'
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'36ce3527ec42095836a84b5aa4050acab602b9fca5eb95ea20bf28c299d086f7')
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md5sums=('97602f1a1239528f6e2487f31607c1e0'
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'f69b8bac09b6f4dd29b1aaca763913c7')
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build() {
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cd "${srcdir}/${pkgname}-${pkgver}"
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patch < "${srcdir}"/dftd4-build.patch
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mkdir -p "${srcdir}/${pkgname}-${pkgver}"/_build
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cd "${srcdir}/${pkgname}-${pkgver}"/_build
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meson setup . .. \
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--buildtype release \
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--warnlevel 0 \
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--prefix=/usr \
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-Dla_backend=openblas
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ninja
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}
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package() {
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cd "${srcdir}/${pkgname}-${pkgver}"/_build
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DESTDIR="$pkgdir" ninja install
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}
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13
dftd4-build.patch
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13
dftd4-build.patch
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@ -0,0 +1,13 @@
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diff --git a/meson.build b/meson.build
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index ea1685c..2f0479b 100644
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--- a/meson.build
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+++ b/meson.build
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@@ -6,7 +6,7 @@ project('dftd4', 'fortran',
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conf = configuration_data()
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conf.set('version', meson.project_version())
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-conf.set('commit', run_command(find_program('git'),'show','-s','--format=%h').stdout().strip())
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+conf.set('commit', 'aur')
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conf.set('date', run_command(find_program('date'),'-I').stdout().strip())
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conf.set('author', run_command(find_program('whoami')).stdout().strip())
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conf.set('origin', run_command(find_program('hostname')).stdout().strip())
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