7.1 first trial

2 files changed, 10 insertions, 33 deletions

diff --git a/.SRCINFO b/.SRCINFO
index 002e4e040b7d..af5eb75083a1 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,17 +1,14 @@
 pkgbase = quantum-espresso
 	pkgdesc = A suite of codes for electronic-structure calculations and modeling
-	pkgver = 6.7
+	pkgver = 7.1
 	pkgrel = 1
 	url = https://www.quantum-espresso.org/
 	arch = x86_64
 	license = GPL2
 	checkdepends = python
 	makedepends = gcc-fortran
-	depends = libxc
-	depends = elpa
-	depends = fftw
-	options = !buildflags
-	source = https://gitlab.com/QEF/q-e/-/archive/qe-6.7MaX-Release/q-e-qe-6.7MaX-Release.tar.bz2
+	depends = openmpi
+	source = https://gitlab.com/QEF/q-e/-/archive/qe-7.1/q-e-qe-7.1.tar.gz
 	sha256sums = c67429353d49142b675ba6deefbde9594159518bf331aac187ee45a46d02734d
 
 pkgname = quantum-espresso
diff --git a/PKGBUILD b/PKGBUILD
index 1950c7cfb1c6..73b8c1005795 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -1,43 +1,23 @@
-# Maintainer: Anton Kudelin <kudelin at protonmail dot com>
-
+# Maintainer: Sushil Khatri <esinkei @ tuta dot io>
+# Contributor: Anton Kudelin <kudelin at protonmail dot com>
 pkgname=quantum-espresso
-pkgver=6.7
+pkgver=7.1
 pkgrel=1
 pkgdesc="A suite of codes for electronic-structure calculations and modeling"
 arch=("x86_64")
 url="https://www.quantum-espresso.org/"
 license=('GPL2')
-depends=('libxc' 'elpa' 'fftw')
+depends=('openmpi')
 makedepends=('gcc-fortran')
 checkdepends=('python')
-source=("https://gitlab.com/QEF/q-e/-/archive/qe-${pkgver}MaX-Release/q-e-qe-${pkgver}MaX-Release.tar.bz2")
+source=("https://gitlab.com/QEF/q-e/-/archive/qe-${pkgver}/q-e-qe-${pkgver}.tar.gz")
 sha256sums=('c67429353d49142b675ba6deefbde9594159518bf331aac187ee45a46d02734d')
-options=(!buildflags)
 
-prepare() {
-  export _elpaver=$( ls /usr/include | grep elpa | sed 's/elpa_openmp-//g' )
-  mv "$srcdir/q-e-qe-${pkgver}MaX-Release" "$srcdir/$pkgname-$pkgver"
-}
 
 build() {
   cd "$srcdir/$pkgname-$pkgver"
-  ./configure --enable-openmp \
-              --with-libxc \
-              --with-elpa-version=2019 \
-              --with-elpa-include=/usr/include/elpa_openmp-$_elpaver/modules \
-              --with-elpa-lib="-lelpa_openmp" \
-              BLAS_LIBS='-lblas' \
-              LAPACK_LIBS='-llapack' \
-              SCALAPACK_LIBS='-lscalapack' \
-              FFT_LIBS='-lfftw3 -lfftw3_threads'
-  make all MANUAL_DFLAGS='-D__FFTW3' LD_LIBS='-lgomp'
-  make -j1 epw MANUAL_DFLAGS='-D__FFTW3' LD_LIBS='-lgomp'
-}
-
-check() {
-  cd "$srcdir/$pkgname-$pkgver/test-suite"
-  rm pw_pawatom/paw-vcbfgs.in pw_relax/relax-extfor.in
-  make run-tests-pw-serial OMP_NUM_THREADS=4
+  ./configure 
+  make all 
 }
 
 package() {