Package Details: quantum-espresso 7.1-1

Git Clone URL: (read-only, click to copy)
Package Base: quantum-espresso
Description: A suite of codes for electronic-structure calculations and modeling
Upstream URL:
Licenses: GPL2
Submitter: hcar
Maintainer: Tenshi65535
Last Packager: Tenshi65535
Votes: 7
Popularity: 0.000027
First Submitted: 2016-10-03 13:52 (UTC)
Last Updated: 2022-11-28 11:06 (UTC)

Latest Comments

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archuser2021 commented on 2022-10-07 11:29 (UTC) (edited on 2022-10-07 11:30 (UTC) by archuser2021)

Hi everyone,

This is a working PKGBUILD

pkgdesc="A suite of codes for electronic-structure calculations and modeling"
depends=('openmpi' 'gcc-fortran' 'fftw' 'elpa' 'libxc')

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

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

Hope it helps.

Philcov commented on 2022-07-12 14:09 (UTC)

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.

asakurahao commented on 2020-11-15 20:24 (UTC) (edited on 2020-11-15 20:25 (UTC) by asakurahao)

@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

a.kudelin commented on 2020-11-15 15:45 (UTC)

@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.

asakurahao commented on 2020-11-14 23:20 (UTC) (edited on 2020-11-14 23:22 (UTC) by asakurahao)

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?

a.kudelin commented on 2020-10-27 17:55 (UTC)

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.

hunar1997 commented on 2020-08-13 11:12 (UTC)

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

bosonic commented on 2020-05-26 08:30 (UTC)

It seems that the building process needs to be fixed by adding a new argument.

hunar1997 commented on 2020-03-19 10:38 (UTC)

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

a.kudelin commented on 2019-07-24 18:30 (UTC) (edited on 2019-07-24 19:27 (UTC) by a.kudelin)

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