[Wien] SRC_trig ifx patch
Gavin Abo
gabo13279 at gmail.com
Mon Sep 1 03:20:06 CEST 2025
A user recently brought to my attention that the executable files (such
as hex2rhomb) in SRC_trig of WIEN2k 24.1 were not compiling when using ifx.
There is now a Makefile.orig.patch at [1] that should fix that. It just
needs applied using "patch -b Makefile.orig Makefile.orig.patch" while
in the SRC_trig directory with the patch file present before running
./siteconfig for the first time during installation.
If the patch wasn't applied before the first run of ./siteconfig, an
additional step 3 below is needed:
_Step 1: Download the patch file_
username at computername:~$ cd $WIENROOT/SRC_trig
username at computername:~/WIEN2k/SRC_trig$ wget
https://github.com/gsabo/WIEN2k-Patches/raw/refs/heads/master/24.1/Makefile.orig.patch
_Step 2: Apply the patch_
username at computername:~/WIEN2k/SRC_trig$ patch -b Makefile.orig
Makefile.orig.patch
_Step 3: Create new SRC_trig/Makefile (from SRC_trig/Makefile.orig)
using ./siteconfig_
username at computername:~/WIEN2k/SRC_trig$ cd $WIENROOT
username at computername:~/WIEN2k$ ./siteconfig
Select "C Specify Compiler" and use ifx again for the Fortran compiler.
SRC_trig should be listed in the message on the screen which indicates
creation of the new SRC_trig/Makefile.
_Step 4: Compile_
If running ./siteconfig for the first time, select "A Compile all
programs" when coming across it during the installation. If after the
first time, while still in ./siteconfig (or run ./siteconfig again),
select "R Compile/Recompile". Then, select "A Compile all programs".
[1] https://github.com/gsabo/WIEN2k-Patches/tree/master/24.1
Best Regards,
Gavin
WIEN2k user
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