diff options
| author | Anton | 2019-05-24 03:29:26 +0300 |
|---|---|---|
| committer | Anton | 2019-05-24 03:29:26 +0300 |
| commit | 4496722a7af395dd6cab89d55e160156f27f32b5 (patch) | |
| tree | b436b4f123c91a418193e144af9c0ebab08dbb27 | |
| parent | 79c7b3c365bdad5a4a4a0b48012e839eecbc0ba3 (diff) | |
| download | aur-4496722a7af395dd6cab89d55e160156f27f32b5.tar.gz | |
Purged excessive dependencies
| -rw-r--r-- | .SRCINFO | 11 | ||||
| -rw-r--r-- | PKGBUILD | 9 | ||||
| -rw-r--r-- | config.sh | 12 |
3 files changed, 19 insertions, 13 deletions
@@ -1,23 +1,20 @@ pkgbase = nwchem pkgdesc = Ab initio computational chemistry software package pkgver = 6.8.1 - pkgrel = 1 + pkgrel = 3 url = http://www.nwchem-sw.org/index.php/Main_Page install = nwchem.install arch = x86_64 license = ECL - depends = gcc-fortran - depends = openmpi + makedepends = gcc-fortran depends = python2 - depends = blas - depends = lapack depends = scalapack source = https://github.com/nwchemgit/nwchem/archive/6.8.1-release.tar.gz source = config.sh source = nwchemrc sha256sums = ea3cf029d578729fe61041dcb63fa8d5a2d012b662c4f026d1fa22ef10401bf5 - sha256sums = SKIP - sha256sums = SKIP + sha256sums = 7f3d791d31fc0bb734bb18d27773f317e6dc96a4ca8e4c7d026b09951f46e379 + sha256sums = d63fdfc44a8f44419748e029d031c91716635ac4f062cd835014cde04677b90f pkgname = nwchem @@ -1,14 +1,15 @@ -# Maintainer: Scott Tincman <sctincman at gmail dot com> +# Maintainter: Anton Kudelin <kudelin at protonmail dot com> +# Contributor: Scott Tincman <sctincman at gmail dot com> pkgname=nwchem pkgver=6.8.1 -pkgrel=1 +pkgrel=3 pkgdesc="Ab initio computational chemistry software package" arch=('x86_64') url="http://www.nwchem-sw.org/index.php/Main_Page" license=('ECL') -depends=('gcc-fortran' 'openmpi' 'python2' 'blas' 'lapack' 'scalapack') -makedepends=() +depends=('python2' 'scalapack') +makedepends=('gcc-fortran') optdepends=() install=nwchem.install source=("https://github.com/nwchemgit/$pkgname/archive/$pkgver-release.tar.gz" diff --git a/config.sh b/config.sh index 475f54a8495c..3119549e6c16 100644 --- a/config.sh +++ b/config.sh @@ -28,7 +28,7 @@ export LAPACK_SIZE=4 export LAPACK_LIB="-llapack" #===================================================# -# NWChem Settings # +# NWChem Settings # #===================================================# export NWCHEM_TARGET=LINUX64 @@ -38,7 +38,6 @@ export NWCHEM_TOP=$(pwd) export PYTHONHOME=/usr export PYTHONVERSION=2.7 export PYTHONLIBTYPE=so -export USE_PYTHON64=y export LARGE_FILES=TRUE export USE_NOFSCHECK=TRUE @@ -48,3 +47,12 @@ export CCSDTQ=y export CCSDTLR=y export IPCCSD=y export EACCSD=y + +#===================================================# +# CUDA Settings # +#===================================================# + +#export TCE_CUDA=y +#export CUDA_HOME=/opt/cuda +#export CUDA_LIBS="-L$CUDA_HOME/lib64 -lcudart" +#export CUDA_INCLUDE="-I. -I$CUDA_HOME/include" |