source compatible with QE 6.1

[felixmusil]

Hi,

I would like to compile GIPAW with QE 6.1 (from https://gitlab.com/QEF/q-e/-/archive/qe-6.1.0/q-e-qe-6.1.0.tar.gz). This version of QE tries to download gipaw 6.0 from the qe forge which is not available anymore. I tried to compile it with this release of gipaw: https://github.com/dceresoli/qe-gipaw/archive/old_6.1.tar.gz, but it raises a compatibility error with QE 6.1. Would you have an idea on how I could find a version of gipaw compatible with QE 6.1 ?

[dceresoli]

I'm sorry. I was not very used with github releases and tags. I've just uploaded release 6.1.

[felixmusil]

Thank you the your fast answer. Unfortunatly I still get this error at the configure stage:

checking Quantum-Espresso version... 6.1
configure: error: Cannot compile against this version of Quantum-Espresso

Also, with the QE 6.1 source when doing, make gipaw, it tries to download qe-gipaw-6.0 from the qe forge. Is this the version of gipaw that is compatible with QE 6.1 ?

[dceresoli]

very strange, what's in QE/Modules/version.f90 ? No, qe-6.1 shouldn't had downloaded gipaw-6.0. When QE-people relaesed 6.1, they didn't give me time to update the download link.

[felixmusil]

Here is the content of the versionfile.

´´´ ! ! Copyright (C) 2003-2015 Quantum ESPRESSO group ! This file is distributed under the terms of the ! GNU General Public License. See the file `License' ! in the root directory of the present distribution, ! or http://www.gnu.org/copyleft/gpl.txt . ! !---------------------------------------------------------------------------- MODULE global_version ! IMPLICIT NONE ! SAVE ! CHARACTER (LEN=6) :: version_number = '6.1' CHARACTER (LEN=12) :: svn_revision = 'unknown' ! END MODULE global_version ´´´

[dceresoli]

should work: qe-gipaw-6.1 configure.ac checks if version_number is 6.* and discards svn_revision string. Could you paste the output of GIPAW's ./configure ?

[felixmusil]

here is the config.log using this source (https://github.com/dceresoli/qe-gipaw/archive/6.1.tar.gz):

This file contains any messages produced by compilers while
running configure, to aid debugging if configure makes a mistake.

It was created by qe-gipaw configure 6.2.1, which was
generated by GNU Autoconf 2.69.  Invocation command line was

  $ ./configure --with-qe-source=/home/musil/source/qe-6.1/

## --------- ##
## Platform. ##
## --------- ##

hostname = fidis
uname -m = x86_64
uname -r = 3.10.0-693.33.1.el7.x86_64
uname -s = Linux
uname -v = #1 SMP Thu May 24 16:41:13 UTC 2018

/usr/bin/uname -p = x86_64
/bin/uname -X     = unknown

/bin/arch              = x86_64
/usr/bin/arch -k       = unknown
/usr/convex/getsysinfo = unknown
/usr/bin/hostinfo      = unknown
/bin/machine           = unknown
/usr/bin/oslevel       = unknown
/bin/universe          = unknown

PATH: /home/musil/miniconda/bin
PATH: /ssoft/spack/paien/v2/opt/spack/linux-rhel7-x86_E5v4_Mellanox/gcc-4.8.5/git-2.17.0-5mba4czyao7smf4fzjk4kjwbveow2xi5/bin
PATH: /ssoft/spack/paien/v2/opt/spack/linux-rhel7-x86_E5v4_Mellanox/gcc-6.4.0/fftw-3.3.7-aqeffvyktgjw5r5hnx74jrkzhgadk2qo/bin
PATH: /ssoft/spack/paien/v2/opt/spack/linux-rhel7-x86_E5v4_Mellanox/gcc-6.4.0/openblas-0.2.20-3jwiinsgzgskgnw3yuyocofdfsjycyuk/bin
PATH: /ssoft/spack/paien/v2/opt/spack/linux-rhel7-x86_E5v4_Mellanox/gcc-6.4.0/openmpi-3.0.1-tr65zulkhp4lu35nqa2b7vxl7rur2w7t/bin
PATH: /ssoft/spack/paien/v2/opt/spack/linux-rhel7-x86_E5v4_Mellanox/gcc-4.8.5/gcc-6.4.0-pdz653rvwm6nibmktub64v3kzawis54d/bin
PATH: /usr/local/bin
PATH: /usr/bin
PATH: /usr/local/sbin
PATH: /usr/sbin
PATH: /opt/ibutils/bin
PATH: /home/musil/bin

## ----------- ##
## Core tests. ##
## ----------- ##

configure:1720: checking for /home/musil/source/qe-6.1/make.inc
configure:1734: result: yes
configure:1745: checking for /home/musil/source/qe-6.1/Modules/version.f90
configure:1759: result: yes
configure:1769: checking Quantum-Espresso version
configure:1772: result: 6.1
configure:1776: error: Cannot compile against this version of Quantum-Espresso

## ---------------- ##
## Cache variables. ##
## ---------------- ##

ac_cv_env_build_alias_set=
ac_cv_env_build_alias_value=
ac_cv_env_host_alias_set=
ac_cv_env_host_alias_value=
ac_cv_env_target_alias_set=
ac_cv_env_target_alias_value=
ac_cv_file__home_musil_source_qe_6_1_Modules_version_f90=yes
ac_cv_file__home_musil_source_qe_6_1_make_inc=yes

## ----------------- ##
## Output variables. ##
## ----------------- ##

DEFS=''
ECHO_C=''
ECHO_N='-n'
ECHO_T=''
LIBOBJS=''
LIBS=''
LTLIBOBJS=''
PACKAGE_BUGREPORT='dceresoli@gmail.com'
PACKAGE_NAME='qe-gipaw'
PACKAGE_STRING='qe-gipaw 6.2.1'
PACKAGE_TARNAME='qe-gipaw'
PACKAGE_URL=''
PACKAGE_VERSION='6.2.1'
PATH_SEPARATOR=':'
SHELL='/bin/sh'
bindir='${exec_prefix}/bin'
build_alias=''
datadir='${datarootdir}'
datarootdir='${prefix}/share'
dflags_gipaw=''
docdir='${datarootdir}/doc/${PACKAGE_TARNAME}'
dvidir='${docdir}'
exec_prefix='NONE'
host_alias=''
htmldir='${docdir}'
includedir='${prefix}/include'
infodir='${datarootdir}/info'
libdir='${exec_prefix}/lib'
libexecdir='${exec_prefix}/libexec'
localedir='${datarootdir}/locale'
localstatedir='${prefix}/var'
mandir='${datarootdir}/man'
oldincludedir='/usr/include'
pdfdir='${docdir}'
prefix='NONE'
program_transform_name='s,x,x,'
psdir='${docdir}'
qe_source='/home/musil/source/qe-6.1'
runstatedir='${localstatedir}/run'
sbindir='${exec_prefix}/sbin'
sharedstatedir='${prefix}/com'
sysconfdir='${prefix}/etc'
target_alias=''

## ----------- ##
## confdefs.h. ##
## ----------- ##

/* confdefs.h */
#define PACKAGE_NAME "qe-gipaw"
#define PACKAGE_TARNAME "qe-gipaw"
#define PACKAGE_VERSION "6.2.1"
#define PACKAGE_STRING "qe-gipaw 6.2.1"
#define PACKAGE_BUGREPORT "dceresoli@gmail.com"
#define PACKAGE_URL ""

configure: exit 1

[dceresoli]

I have understood. I don't know how to make a binary-only release. The tar.gz you downloaded is gipaw-6.3. The correct link is: https://github.com/dceresoli/qe-gipaw/releases/download/6.1/qe-gipaw-6.1.tar.gz

[felixmusil]

Thanks. it works fine now.