easyconfig file for installing Siesta 5.0

[luciandf]

Hello all,

Has any of you installed Siesta 5.0 with easybuild? Can you share the eb file please?

Thank you

[iortizdeluzu]

@luciandf Here I send you an easyconfic that works for our cluster. I hope it works also for you.

Siesta-5.0.1-intel-2023a.txt

[luciandf]

thank you so much! I will try it as soon as possible!

[luciandf]

@iortizdeluzu so I tried your eb file with the foss2023b toolchain. I have a more difficult problem of installing the intel2023a toolchain from your file.

I got quite far but it stopped with this error:

-- Searching for s-dftd3 - found
-- Adding support with SIESTA_WITH_FLOOK=TRUE
--   Searching for flook library
--     trying pkg-config
--     Checking for module 'flook>=0.8.4'
--       Package 'flook', required by 'virtual:world', not found
--     trying pkg-config - not found
--     Checking libraries (flookall) in FLOOK_ROOT=
--     Checking libraries (flookall) in FLOOK_ROOT= - not found
--     flook: will compile on-the-fly from sources: /home/builder/2024-software-install/f/flook/0.8.4.tar.gz
--     Searching for library [dl]
--     Searching for library [dl] - Found library [dl]: /usr/lib64/libdl.so
--     Searching for library [readline]
CMake Error at External/Lua-Engine/CMakeLists.txt:48 (find_library):
  Could not find _flook_lib_readline using the following names: readline
Call Stack (most recent call first):
  External/Lua-Engine/CMakeLists.txt:243 (flook_add_dependencies)


-- Configuring incomplete, errors occurred!
 (at easybuild/software/EasyBuild/4.9.4/lib/python3.6/site-packages/easybuild/tools/run.py:695 in parse_cmd_output)
== 2024-10-01 22:31:46,688 build_log.py:267 INFO ... (took 2 mins 7 secs)
== 2024-10-01 22:31:46,689 filetools.py:2025 INFO Removing lock /opt/ohpc/pub/thor/software/.locks/_opt_ohpc_pub_thor_software_Siesta_5.0.1-foss-2023b.lock...
== 2024-10-01 22:31:46,732 filetools.py:385 INFO Path /opt/ohpc/pub/thor/software/.locks/_opt_ohpc_pub_thor_software_Siesta_5.0.1-foss-2023b.lock successfully removed.
== 2024-10-01 22:31:46,732 filetools.py:2029 INFO Lock removed: /opt/ohpc/pub/thor/software/.locks/_opt_ohpc_pub_thor_software_Siesta_5.0.1-foss-2023b.lock
== 2024-10-01 22:31:46,733 easyblock.py:4297 WARNING build failed (first 300 chars): cmd " cmake  -DCMAKE_INSTALL_PREFIX=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b -DCMAKE_INSTALL_LOCALSTATEDIR=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b/var -DCMAKE_INSTALL_RUNSTATEDIR=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b/var/run -DCMAKE_INSTALL_SYSCONFDIR=/opt/ohpc/p
== 2024-10-01 22:31:46,733 easyblock.py:326 INFO Closing log for application name Siesta version 5.0.1
== 2024-10-01 22:31:46,734 build_log.py:267 INFO FAILED: Installation ended unsuccessfully (build directory: /opt/ohpc/pub/thor/build/Siesta/5.0.1/foss-2023b): build failed (first 300 chars): cmd " cmake  -DCMAKE_INSTALL_PREFIX=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b -DCMAKE_INSTALL_LOCALSTATEDIR=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b/var -DCMAKE_INSTALL_RUNSTATEDIR=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b/var/run -DCMAKE_INSTALL_SYSCONFDIR=/opt/ohpc/p (took 3 mins 56 secs)
== 2024-10-01 22:31:46,736 build_log.py:267 INFO Results of the build can be found in the log file(s) /tmp/eb-5ygly2uj/easybuild-Siesta-5.0.1-20241001.222749.aatEw.log
== 2024-10-01 22:31:46,739 build_log.py:171 ERROR EasyBuild crashed with an error (at easybuild/software/EasyBuild/4.9.4/lib/python3.6/site-packages/easybuild/base/exceptions.py:126 in __init__): build failed (first 300 chars): cmd " cmake  -DCMAKE_INSTALL_PREFIX=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b -DCMAKE_INSTALL_LOCALSTATEDIR=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b/var -DCMAKE_INSTALL_RUNSTATEDIR=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b/var/run -DCMAKE_INSTALL_SYSCONFDIR=/opt/ohpc/p (at easybuild/software/EasyBuild/4.9.4/lib/python3.6/site-packages/easybuild/main.py:140 in build_and_install_software)
== 2024-10-01 22:31:46,745 build_log.py:171 ERROR EasyBuild crashed with an error (at easybuild/software/EasyBuild/4.9.4/lib/python3.6/site-packages/easybuild/base/exceptions.py:126 in __init__): Build of /home/builder/2024-software-install/siesta-5.0.eb failed (err: 'build failed (first 300 chars): cmd " cmake  -DCMAKE_INSTALL_PREFIX=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b -DCMAKE_INSTALL_LOCALSTATEDIR=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b/var -DCMAKE_INSTALL_RUNSTATEDIR=/opt/ohpc/pub/thor/software/Siesta/5.0.1-foss-2023b/var/run -DCMAKE_INSTALL_SYSCONFDIR=/opt/ohpc/p') (at easybuild/software/EasyBuild/4.9.4/lib/python3.6/site-packages/easybuild/main.py:178 in build_and_install_software)

Have you seen anything like this? What is going on? It is so close!