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authorKherim Willems2021-02-10 10:03:41 +0100
committerKherim Willems2021-02-10 10:03:41 +0100
commit4494bf8e23e90abc778456f189901f0b63b7955f (patch)
tree5d8587f474e9b52a57d73203cf0a2e40fde2d6fd
parent0812658ded46d17c316e62199a7a1f6715b98a32 (diff)
downloadaur-4494bf8e23e90abc778456f189901f0b63b7955f.tar.gz
Updated to NAMD 2.14.
-rw-r--r--.SRCINFO6
-rw-r--r--PKGBUILD10
2 files changed, 5 insertions, 11 deletions
diff --git a/.SRCINFO b/.SRCINFO
index 7fe579d6d377..a76a44af1690 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,6 +1,6 @@
pkgbase = namd-multicore-cuda-bin
pkgdesc = Parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.
- pkgver = 2.13
+ pkgver = 2.14
pkgrel = 1
url = http://www.ks.uiuc.edu/Research/namd/
arch = x86_64
@@ -12,8 +12,8 @@ pkgbase = namd-multicore-cuda-bin
conflicts = namd-multicore-cuda
conflicts = namd-multicore-cuda-bin
conflicts = namd
- source = local://NAMD_2.13_Linux-x86_64-multicore-CUDA.tar.gz
- md5sums = 80f7b3a661f5fd80ccac78b7bc32035c
+ source = local://NAMD_2.14_Linux-x86_64-multicore-CUDA.tar.gz
+ md5sums = d267b77d4c1d40ba43862a4673675c31
pkgname = namd-multicore-cuda-bin
diff --git a/PKGBUILD b/PKGBUILD
index 0a828a068783..dde0b04b3139 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -2,7 +2,7 @@
_pkgname=namd-multicore-cuda
pkgname=$_pkgname-bin
-pkgver=2.13
+pkgver=2.14
pkgrel=1
pkgdesc="Parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems."
arch=("x86_64")
@@ -16,7 +16,7 @@ conflicts=("$_pkgname" "$_pkgname-bin" "namd")
# Current download should be:
# Linux-x86_64-multicore-CUDA (NVIDIA CUDA acceleration)
source=("local://NAMD_${pkgver}_Linux-$arch-multicore-CUDA.tar.gz")
-md5sums=('80f7b3a661f5fd80ccac78b7bc32035c')
+md5sums=('d267b77d4c1d40ba43862a4673675c31')
package() {
cd $srcdir/NAMD_${pkgver}_Linux-$arch-multicore-CUDA
@@ -32,12 +32,6 @@ package() {
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}
}