diff options
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 49 |
1 files changed, 24 insertions, 25 deletions
@@ -2,33 +2,32 @@ # Contributor: Scott Tincman <sctincman at gmail dot com> pkgname=nwchem -pkgver=6.8.1 -pkgrel=4 +pkgver=7.0.0 +pkgrel=1 pkgdesc="Ab initio computational chemistry software package" arch=('x86_64') url="http://www.nwchem-sw.org/index.php/Main_Page" license=('ECL') -depends=('python2' 'scalapack') +depends=('python' 'scalapack') makedepends=('gcc-fortran') optdepends=() install=nwchem.install -source=("https://github.com/nwchemgit/$pkgname/archive/$pkgver-release.tar.gz" +source=("https://github.com/nwchemgit/nwchem/archive/v$pkgver-release.tar.gz" "config.sh" "nwchemrc") -sha256sums=('ea3cf029d578729fe61041dcb63fa8d5a2d012b662c4f026d1fa22ef10401bf5' - 'd0af34392385eaecf9dd08b9b49b9a0fbbed65c4c7945da5915293f620e9a08c' +sha256sums=('dc03194513a6d2deecde6e80135b68419dca35483c9ecb45e35c5a028e27b15f' + 'ae97d6dbdc2c11802b8699564ad433c4b8aef67263bbd8f4d64a549debd3b1da' 'd63fdfc44a8f44419748e029d031c91716635ac4f062cd835014cde04677b90f') prepare(){ - mv $srcdir/$pkgname-$pkgver* $srcdir/$pkgname-$pkgver - # Fix CUDA - sed -i 's/$(CUDA_FLAGS)/$(CUDA_FLAGS) --compiler-options -fPIC/g' $srcdir/$pkgname-$pkgver/src/config/makefile.h + sed -i 's/$(CUDA_FLAGS)/$(CUDA_FLAGS) --compiler-options -fPIC/g' \ + "$srcdir/$pkgname-$pkgver-release/src/config/makefile.h" } build() { - cd $srcdir/$pkgname-$pkgver - source $srcdir/config.sh + cd "$srcdir/$pkgname-$pkgver-release" + source "$srcdir/config.sh" cd src make nwchem_config make 64_to_32 @@ -37,19 +36,19 @@ build() { } package() { - cd $srcdir/$pkgname-$pkgver + cd "$srcdir/$pkgname-$pkgver-release" export TARGET=LINUX64 - install -d -m 755 $pkgdir/usr/bin - install -d -m 755 $pkgdir/usr/share/$pkgname/ - install -d -m 755 $pkgdir/etc/skel/ - install -d -m 755 $pkgdir/usr/share/licenses/$pkgname - install -d -m 755 $pkgdir/usr/share/$pkgname/libraryps - install -m 755 $srcdir/$pkgname-$pkgver/bin/${TARGET}/$pkgname $pkgdir/usr/bin/ - cp -r $srcdir/$pkgname-$pkgver/src/basis/libraries $pkgdir/usr/share/$pkgname/ - cp -r $srcdir/$pkgname-$pkgver/src/data $pkgdir/usr/share/$pkgname/ - cp -r $srcdir/$pkgname-$pkgver/src/nwpw/libraryps/{development_psps,HGH_LDA,library1,library2,ofpw_default,paw_default,pspw_default,pspw_new,pspw_old,Spin_Orbit,TETER,TM} $pkgdir/usr/share/$pkgname/libraryps - chmod -R go=rX $pkgdir/usr/share/$pkgname/ - chmod -R u=wrX $pkgdir/usr/share/$pkgname/ - install -m 644 $srcdir/nwchemrc $pkgdir/etc/skel/.nwchemrc - install -m 0644 $srcdir/$pkgname-$pkgver/LICENSE.TXT $pkgdir/usr/share/licenses/$pkgname/ + install -d -m 755 "$pkgdir/usr/bin" + install -d -m 755 "$pkgdir/usr/share/$pkgname" + install -d -m 755 "$pkgdir/etc/skel" + install -d -m 755 "$pkgdir/usr/share/licenses/$pkgname" + install -d -m 755 "$pkgdir/usr/share/$pkgname/libraryps" + install -m 755 "bin/${TARGET}/$pkgname" "$pkgdir/usr/bin" + cp -r src/basis/libraries "$pkgdir/usr/share/$pkgname" + cp -r src/data "$pkgdir/usr/share/$pkgname" + cp -r src/nwpw/libraryps/{development_psps,HGH_LDA,library1,library2,ofpw_default,paw_default,pspw_default,pspw_new,pspw_old,Spin_Orbit,TETER,TM} "$pkgdir/usr/share/$pkgname/libraryps" + chmod -R go=rX "$pkgdir/usr/share/$pkgname" + chmod -R u=wrX "$pkgdir/usr/share/$pkgname" + install -m 644 "$srcdir/nwchemrc" "$pkgdir/etc/skel/.nwchemrc" + install -m 0644 LICENSE.TXT "$pkgdir/usr/share/licenses/$pkgname" } |