Updated to 7.0.0

3 files changed, 31 insertions, 32 deletions

diff --git a/.SRCINFO b/.SRCINFO
index 19b5897e93fb..55f0f28567ba 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,19 +1,19 @@
 pkgbase = nwchem
 	pkgdesc = Ab initio computational chemistry software package
-	pkgver = 6.8.1
-	pkgrel = 4
+	pkgver = 7.0.0
+	pkgrel = 1
 	url = http://www.nwchem-sw.org/index.php/Main_Page
 	install = nwchem.install
 	arch = x86_64
 	license = ECL
 	makedepends = gcc-fortran
-	depends = python2
+	depends = python
 	depends = scalapack
-	source = https://github.com/nwchemgit/nwchem/archive/6.8.1-release.tar.gz
+	source = https://github.com/nwchemgit/nwchem/archive/v7.0.0-release.tar.gz
 	source = config.sh
 	source = nwchemrc
-	sha256sums = ea3cf029d578729fe61041dcb63fa8d5a2d012b662c4f026d1fa22ef10401bf5
-	sha256sums = d0af34392385eaecf9dd08b9b49b9a0fbbed65c4c7945da5915293f620e9a08c
+	sha256sums = dc03194513a6d2deecde6e80135b68419dca35483c9ecb45e35c5a028e27b15f
+	sha256sums = ae97d6dbdc2c11802b8699564ad433c4b8aef67263bbd8f4d64a549debd3b1da
 	sha256sums = d63fdfc44a8f44419748e029d031c91716635ac4f062cd835014cde04677b90f
 
 pkgname = nwchem
diff --git a/PKGBUILD b/PKGBUILD
index 17d2978d8cd4..7913337aea2d 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -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/$pkgname"
 }
diff --git a/config.sh b/config.sh
index 3119549e6c16..5591412e176b 100644
--- a/config.sh
+++ b/config.sh
@@ -36,7 +36,7 @@ export NWCHEM_MODULES="all nwxc python"
 export NWCHEM_TOP=$(pwd)
 
 export PYTHONHOME=/usr
-export PYTHONVERSION=2.7
+export PYTHONVERSION=3.8
 export PYTHONLIBTYPE=so
 
 export LARGE_FILES=TRUE