Arch Linux User Repository

Hi everyone,

This is a working PKGBUILD

pkgname=quantum-espresso
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=('openmpi' 'gcc-fortran' 'fftw' 'elpa' 'libxc')
makedepends=('gcc-fortran')
checkdepends=('python')
source=("https://gitlab.com/QEF/q-e/-/archive/qe-${pkgver}/q-e-qe-${pkgver}.tar.gz")
sha256sums=('d56dea096635808843bd5a9be2dee3d1f60407c01dbeeda03f8256a3bcfc4eb6')


build() {
  cd "$srcdir/q-e-qe-${pkgver}"
  ./configure 
  make all 
}

package() {
  cd "$srcdir/q-e-qe-${pkgver}"
  make PREFIX="$pkgdir/usr" install
}

Hope it helps.

Hi, I am using Arch Linux 5.18 and quantum-espresso, both with paru and baph, fails the validity check when trying to install it.

@a.kudelin, Thanks. The system is updated, but I need this old version for some softwares. Unfortunately, I didn't find the gfortran-9 script. I've also tried to insert the commands you said, but it showed me an error message

It is strange, because during the install, it shows that gfortran is the 10.2

@asakurahao, why do you use gfortran-9? Please make sure that your system is up to date and the default Fortran compiler is gfortran of the gcc-fortran package.
The workaround is to insert

FC = gfortran
F77 = gfortran
F90 = gfortran
FCFLAGS = "-march=x86_64 -O2 -pipe -fno-plt"
FFLAGS = "-march=x86_64 -O2 -pipe -fno-plt"

into your /etc/makepkg.conf in the case you don't find what script sets FC = gfortran-9.

Dear, I1m having a problem during the install process.

"gfortran-9: error: unrecognized command line option ‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?

gfortran-9: error: unrecognized command line option ‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?

make[2]: *** [CMakeFiles/scalapack.dir/build.make:3241: CMakeFiles/scalapack.dir/TOOLS/iceil.f.o] Error 1

make[2]: *** Waiting for unfinished jobs....]

make[2]: *** [CMakeFiles/scalapack.dir/build.make:3254: CMakeFiles/scalapack.dir/TOOLS/ilacpy.f.o] Error 1

gfortran-9: error: unrecognized command line option ‘-fallow-argument-mismatch’; did you mean ‘-Wno-argument-mismatch’?

make[2]: *** [CMakeFiles/scalapack.dir/build.make:3267: CMakeFiles/scalapack.dir/TOOLS/ilcm.f.o] Error 1

make[1]: [CMakeFiles/Makefile2:1467: CMakeFiles/scalapack.dir/all] Error 2 make: [Makefile:182: all] Error 2"

What can I do to solve this problem?

Hi, @hcar Do you still wish to maintain this package? If not, please disown it or add me as a co-maintainer cause I already have a full featured PKGBUILD for quantum espresso. Also I can just give it to you if you'd like to proceed alone.

Version 6.6 is out , and if you remove FFLAGS in the PKGBUILD file then it will already have -fallow-argument-mismatch which (bosonic) mentioned

It seems that the building process needs to be fixed by adding a new argument. https://gitlab.com/QEF/q-e/-/issues/187

There is a problem, you should add compiler flag -O3, when i ./configure the gitlab source it uses the -O3 flag by default, but this PKGBUILD rewrote it without adding -O3 back. I personally use -Ofast, i don't know if its bad or not

Please, clean up PKGBUILD a bit and add the dependencies required, such as scalapack and fftw.