Hi Åke,
Thanks a lot, the updated PR now works correctly for me. This installs
both the intel and foss versions of QuantumESPRESSO:
$ ml av QuantumESPRESSO
-- /home/modules/modules/all
---
QuantumESPRESSO/6.3-foss-2018bQuantumESPRESSO/6.3-intel-2018b (D)
Best regards,
Ole
On 11/02/2018 02:32 PM, Åke Sandgren wrote:
Ooops...
Too much cleaning when i origiinally made them.
Try again, now with URL to wannier in place.
If you want both the intel and foss builds, just do
eb --from-pr=6593 --robot
On 11/2/18 8:53 AM, Ole Holm Nielsen wrote:
Hi Åke,
Thanks for the .eb file name and command! If one wants also foss/2018b,
what is the corresponding command?
The build fails due to a missing wannier90-2.1.0.tar.gz file:
== processing EasyBuild easyconfig
/tmp/eb-dlK3CF/files_pr6593/q/QuantumESPRESSO/QuantumESPRESSO-6.3-intel-2018b.eb
== building and installing QuantumESPRESSO/6.3-intel-2018b...
== fetching files...
== FAILED: Installation ended unsuccessfully (build directory:
/home/modules/build/QuantumESPRESSO/6.3/intel-2018b): build failed
(first 300 chars): Couldn't find file wannier90-2.1.0.tar.gz anywhere,
and downloading it didn't work either... Paths attempted (in order):
/tmp/eb-dlK3CF/files_pr6593/q/QuantumESPRESSO/q/QuantumESPRESSO/wannier90-2.1.0.tar.gz,
/tmp/eb-dlK3CF/files_pr6593/q/QuantumESPRESSO/QuantumESPRESSO/wannier90-2.1.0.tar.gz,
/tmp/
== Results of the build can be found in the log file(s)
/tmp/eb-dlK3CF/easybuild-QuantumESPRESSO-6.3-20181102.084709.TTGIh.log
ERROR: Build of
/tmp/eb-dlK3CF/files_pr6593/q/QuantumESPRESSO/QuantumESPRESSO-6.3-intel-2018b.eb
failed (err: "build failed (first 300 chars): Couldn't find file
wannier90-2.1.0.tar.gz anywhere, and downloading it didn't work
either... Paths attempted (in order):
/tmp/eb-dlK3CF/files_pr6593/q/QuantumESPRESSO/q/QuantumESPRESSO/wannier90-2.1.0.tar.gz,
/tmp/eb-dlK3CF/files_pr6593/q/QuantumESPRESSO/QuantumESPRESSO/wannier90-2.1.0.tar.gz,>
--
Ole Holm Nielsen
PhD, Senior HPC Officer
Department of Physics, Technical University of Denmark,
Building 307, DK-2800 Kongens Lyngby, Denmark
E-mail: ole.h.niel...@fysik.dtu.dk
Homepage: http://dcwww.fysik.dtu.dk/~ohnielse/
Tel: (+45) 4525 3187 / Mobile (+45) 5180 1620
/tmp/")
Perhaps your .eb file should include the download URL?
Thanks,
Ole
On 11/01/2018 07:57 PM, Åke Sandgren wrote:
If you only want the intel build from that pr do
eb --from-pr=6593 QuantumESPRESSO-6.3-intel-2018b.eb --robot
On 11/1/18 5:04 PM, Ole Holm Nielsen wrote:
Hi Åke,
That sounds good. Since I'm not so experienced with EasyBuild, I wonder
if you could show me the eb command to use for building Quantum Espresso
using the intel/2018b toolchain?
Thanks a lot,
Ole
On 11/01/2018 04:05 PM, Åke Sandgren wrote:
It's ok to install, the autotools thing is a small problem for mergeing
it but not for using.
On 11/1/18 3:38 PM, Ole Holm Nielsen wrote:
Hi Åke,
Thanks a lot, we need to try out your PR. Are you saying it's OK to
install it, or is the autotools problem blocking the build?
Thanks,
Ole
On 11/01/2018 03:11 PM, Åke Sandgren wrote:
There is a pending PR for QME 6.3,
https://github.com/easybuilders/easybuild-easyconfigs/pull/6593 it
works, but we're still discussing the best approach to solve the
autotools version clash.
On 11/1/18 1:35 PM, Ole Holm Nielsen wrote:
We have a request to install the Quantum Espresso code, but the
information in
https://easybuild.readthedocs.io/en/latest/version-specific/Supported_software.html#list-software-quantumespresso-1375
is obsolete.
Could someone kindly correct the homepage information from
www.pwscf.org
to https://www.quantum-espresso.org/download ?
The Quantum Espresso releases can be downloaded from Gitlab:
https://gitlab.com/QEF/q-e/-/archive/qe-6.3/q-e-qe-6.3.tar.gz
https://gitlab.com/QEF/q-e/-/archive/qe-6.2.1/q-e-qe-6.2.1.tar.gz
https://gitlab.com/QEF/q-e/-/archive/qe-6.2.0/q-e-qe-6.2.0.tar.gz
Question: Does anyone have a working EB file for recent versions
(>6.2)
and preferably using the intel-2018b toolchain which includes Intel
MPI
(free version)?
There was a question about Quantum Espresso in
https://lists.ugent.be/wws/arc/easybuild/2017-12/msg00045.html
Thanks for any help,
Ole
