Package Details: quantum-espresso 7.1-1

Git Clone URL: https://aur.archlinux.org/quantum-espresso.git (read-only, click to copy)
Package Base: quantum-espresso
Description: A suite of codes for electronic-structure calculations and modeling
Upstream URL: https://www.quantum-espresso.org/
Licenses: GPL2
Submitter: hcar
Maintainer: Tenshi65535
Last Packager: Tenshi65535
Votes: 7
Popularity: 0.000002
First Submitted: 2016-10-03 13:52 (UTC)
Last Updated: 2022-11-28 11:06 (UTC)

Latest Comments

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hunar1997 commented on 2019-03-09 14:09 (UTC)

Why this doesn't have dependencies? it clearly depends on 'openmpi' and 'gcc-fortran' .. and a new version was out this week

hcar commented on 2018-05-16 16:30 (UTC)

I can compile the new version 6.2.1 even without the -j1 option (gcc 7.3.1+20180312-2). If you still have problems compiling, please drop a note.

Atraii commented on 2018-05-15 18:27 (UTC)

@hcar @gerson The problem is solved by compiling with -j1. I have provided a new PKGBUILD for this.

pkgname=quantum-espresso
pkgver=6.2.1
pkgrel=1
epoch=
pkgdesc="Computer codes for electronic-structure calculations and materials modeling
at the nanoscale. It is based on density-functional theory, plane waves, and
pseudopotentials."
arch=("x86_64")
url="http://www.quantum-espresso.org"
license=('GPL')
groups=()
depends=()
makedepends=()
checkdepends=()
optdepends=()
provides=()
conflicts=()
replaces=()
backup=()
options=()
install=
changelog=
source=("https://gitlab.com/QEF/q-e/-/archive/qe-$pkgver/q-e-qe-$pkgver.tar.gz"
        "https://gitlab.com/QEF/q-e/uploads/edd91febdd3916ce1d527ea00f0a05f0/fox.tgz")
noextract=()
md5sums=('769cc973382156bffd35254c3dbaf453'
         '3e4765d44ad77f65ed70c9c2992c0b84')
validpgpkeys=()

build() {
        cd "$srcdir/q-e-qe-$pkgver"
    cp "$srcdir/fox.tgz" "$srcdir/q-e-qe-$pkgver/archive"
        FFLAGS="-ffree-line-length-none" ./configure --prefix="$pkgdir/usr"
        make all -j1
}

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

hcar commented on 2018-04-22 15:15 (UTC)

There is the same error on Archlinux. I also think it is a problem of the compiler.

gerson commented on 2018-04-21 00:38 (UTC)

Confirmed:

Not working with Antergos, f95 version 7.3.1 20180312

Working well with Manjaro, f95 version 7.3.0

I guess it wont work on pure Arch as well.

gerson commented on 2018-04-20 23:49 (UTC)

Not working here with Antergos. Any ideas on how to fix? Last year I had no trouble installing on Manjaro. The error message bellow is actually on the installation of the fox subpackage.

mkdir -p objs/lib objs/finclude
(cd fsys; make VPATH=/fsys)
 make[1]: Entering directory '/home/gerson/QE/q-e-qe-6.2.1/archive/fox/fsys'
f95 -c -g -O2   -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DFC_EOR_LF  fox_m_fsys_abort_flush.F90 
f95 -c -g -O2   -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DFC_EOR_LF  fox_m_fsys_array_str.F90 
f95 -c -g -O2     fox_m_fsys_realtypes.f90
f95 -c -g -O2   -DFC_HAVE_FLUSH -DFC_HAVE_ABORT -DFC_EOR_LF  fox_m_fsys_format.F90 
fox_m_fsys_format.F90:413:0:

     if (.not.checkFmt(fmt)) then

internal compiler error: Segmentation fault
Please submit a full bug report,
with preprocessed source if appropriate.
See <<https://bugs.archlinux.org/>> for instructions.
make[1]: *** [../arch.make:40: fox_m_fsys_format.o] Error 1
make[1]: Leaving directory '/home/gerson/QE/q-e-qe-6.2.1/archive/fox/fsys'
make: *** [Makefile:130: fsys_lib] Error 2

mathholic commented on 2018-03-30 01:08 (UTC)

Many thanks!

nulliusinverba commented on 2017-09-05 02:46 (UTC)

thank you

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