diff options
| author | Kherim Willems | 2019-01-29 18:28:21 +0100 |
|---|---|---|
| committer | Kherim Willems | 2019-01-29 18:54:27 +0100 |
| commit | 0812658ded46d17c316e62199a7a1f6715b98a32 (patch) | |
| tree | d1335397e8b4097b3034604f11e3e000c550c99b /PKGBUILD | |
| download | aur-0812658ded46d17c316e62199a7a1f6715b98a32.tar.gz | |
First package version.
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 43 |
1 files changed, 43 insertions, 0 deletions
diff --git a/PKGBUILD b/PKGBUILD new file mode 100644 index 000000000000..0a828a068783 --- /dev/null +++ b/PKGBUILD @@ -0,0 +1,43 @@ +# Maintainer: Kherim Willems <kherimwillems @ gmail dot com> + +_pkgname=namd-multicore-cuda +pkgname=$_pkgname-bin +pkgver=2.13 +pkgrel=1 +pkgdesc="Parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems." +arch=("x86_64") +url="http://www.ks.uiuc.edu/Research/namd/" +license=("custom") +depends=("bash") +optdepends=("python: Running additional library scripts.") +provides=("$_pkgname" "namd") +conflicts=("$_pkgname" "$_pkgname-bin" "namd") +# You MUST download the package from the NAMD url and put it in the PKGBUILD folder! +# Current download should be: +# Linux-x86_64-multicore-CUDA (NVIDIA CUDA acceleration) +source=("local://NAMD_${pkgver}_Linux-$arch-multicore-CUDA.tar.gz") +md5sums=('80f7b3a661f5fd80ccac78b7bc32035c') + +package() { + cd $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA + + # License file + install -Dm644 $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA/license.txt ${pkgdir}/usr/share/licenses/$pkgname/LICENSE + + # Executable files + install -Dm 755 $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA/charmrun "${pkgdir}"/usr/bin/charmrun + install -Dm 755 $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA/flipbinpdb "${pkgdir}"/usr/bin/flipbinpdb + install -Dm 755 $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA/flipdcd "${pkgdir}"/usr/bin/flipdcd + install -Dm 755 $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA/namd2 "${pkgdir}"/usr/bin/namd2 + install -Dm 755 $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA/psfgen "${pkgdir}"/usr/bin/psfgen + install -Dm 755 $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA/sortreplicas "${pkgdir}"/usr/bin/sortreplicas + + # CUDA and CUFFT libraries + install -Dm 644 $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA/libcudart.so.9.1 \ + "${pkgdir}"/usr/lib/libcudart.so.9.1 + install -Dm 644 $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA/libcufft.so.9.1 \ + "${pkgdir}"/usr/lib/libcufft.so.9.1 + + # Other modules and scripts + cp -Rf --preserve=mode $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA/lib "${pkgdir}"/usr/share/${_pkgname} +} |