[Debichem-devel] Bug#1097412: mopac: ftbfs with GCC-15

[Matthias Klose]

Package: src:mopac
Version: 23.0.3-1
Severity: important
Tags: sid forky
User: debian-gcc at lists.debian.org
Usertags: ftbfs-gcc-15

[This bug is NOT targeted to the upcoming trixie release]

Please keep this issue open in the bug tracker for the package it
was filed for.  If a fix in another package is required, please
file a bug for the other package (or clone), and add a block in this
package. Please keep the issue open until the package can be built in
a follow-up test rebuild.

The package fails to build in a test rebuild on at least amd64 with
gcc-15/g++-15, but succeeds to build with gcc-14/g++-14. The
severity of this report will be raised before the forky release.

The full build log can be found at:
http://qa-logs.debian.net/2025/02/16/amd64exp/mopac_23.0.3-1_unstable_gccexp.log.gz
The last lines of the build log are at the end of this report.

To build with GCC 15, either set CC=gcc-15 CXX=g++-15 explicitly,
or install the gcc, g++, gfortran, ... packages from experimental.

  apt-get -t=experimental install g++ 

GCC 15 now defaults to the C23/C++23 standards, exposing many FTBFS.
Other Common build failures are new warnings resulting in build failures
with -Werror turned on, or new/dropped symbols in Debian symbols files.
For other C/C++ related build failures see the porting guide at
http://gcc.gnu.org/gcc-15/porting_to.html

[...]
1: WARNING: numerical mismatch between 62.3839 on reference line 88432 in /build/reproducible-path/mopac-23.0.3/tests and 50.8819 on output line 88440 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -12.737819 on reference line 103052 in /build/reproducible-path/mopac-23.0.3/tests and -12.735625 on output line 103060 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -8.777923 on reference line 103064 in /build/reproducible-path/mopac-23.0.3/tests and -8.773786 on output line 103072 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -28.71347 on reference line 103065 in /build/reproducible-path/mopac-23.0.3/tests and -28.711459 on output line 103073 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -14.796816 on reference line 103066 in /build/reproducible-path/mopac-23.0.3/tests and -14.782399 on output line 103074 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between 15.300927 on reference line 103068 in /build/reproducible-path/mopac-23.0.3/tests and 15.302669 on output line 103076 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -3.956614 on reference line 103069 in /build/reproducible-path/mopac-23.0.3/tests and -3.952412 on output line 103077 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -55.397921 on reference line 103070 in /build/reproducible-path/mopac-23.0.3/tests and -55.398657 on output line 103078 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -73.066573 on reference line 103071 in /build/reproducible-path/mopac-23.0.3/tests and -73.065213 on output line 103079 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -3.562092 on reference line 103072 in /build/reproducible-path/mopac-23.0.3/tests and -3.558406 on output line 103080 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between 30.117805 on reference line 103076 in /build/reproducible-path/mopac-23.0.3/tests and 30.117095 on output line 103084 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -40.746604 on reference line 103077 in /build/reproducible-path/mopac-23.0.3/tests and -40.74791 on output line 103085 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -0.782734 on reference line 103078 in /build/reproducible-path/mopac-23.0.3/tests and -0.781377 on output line 103086 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between 14.719068 on reference line 103079 in /build/reproducible-path/mopac-23.0.3/tests and 14.718917 on output line 103087 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between 29.162886 on reference line 103080 in /build/reproducible-path/mopac-23.0.3/tests and 29.164265 on output line 103088 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -1.978368 on reference line 103081 in /build/reproducible-path/mopac-23.0.3/tests and -1.977429 on output line 103089 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -470.040085 on reference line 103556 in /build/reproducible-path/mopac-23.0.3/tests and -470.040324 on output line 103564 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between 0.00465 on reference line 103557 in /build/reproducible-path/mopac-23.0.3/tests and 0.004902 on output line 103565 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -470.038722 on reference line 103559 in /build/reproducible-path/mopac-23.0.3/tests and -470.038899 on output line 103567 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -0.006155 on reference line 103560 in /build/reproducible-path/mopac-23.0.3/tests and -0.00643 on output line 103568 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -470.039093 on reference line 103562 in /build/reproducible-path/mopac-23.0.3/tests and -470.039287 on output line 103570 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between 0.004095 on reference line 103563 in /build/reproducible-path/mopac-23.0.3/tests and 0.004289 on output line 103571 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -470.039782 on reference line 103565 in /build/reproducible-path/mopac-23.0.3/tests and -470.040007 on output line 103573 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -0.006717 on reference line 103566 in /build/reproducible-path/mopac-23.0.3/tests and -0.007031 on output line 103574 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -470.037736 on reference line 103568 in /build/reproducible-path/mopac-23.0.3/tests and -470.03787 on output line 103576 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between 0.005486 on reference line 103569 in /build/reproducible-path/mopac-23.0.3/tests and 0.005765 on output line 103577 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
1: WARNING: numerical mismatch between -470.038009 on reference line 103571 in /build/reproducible-path/mopac-23.0.3/tests and -470.038153 on output line 103579 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
121/124 Test   #1: port .............................   Passed   24.12 sec
114: 
114: 
114:           MOPAC Job: "ROOT.mop" ended normally on Feb 16, 2025, at 02:45.
114: 
114: WARNING: numerical heat mismatch between -205.75414 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -205.75541 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical mismatch between -860.87533 on reference line 100 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -860.88062 on output line 100 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical heat mismatch between -205.75414 on reference line 740 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -205.75541 on output line 740 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical mismatch between -860.87533 on reference line 740 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -860.88062 on output line 740 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical heat mismatch between -103.23488 on reference line 1380 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -103.2361 on output line 1380 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical mismatch between -431.93475 on reference line 1380 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -431.93982 on output line 1380 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical heat mismatch between -101.79895 on reference line 2020 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -101.80016 on output line 2020 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical mismatch between -425.92679 on reference line 2020 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -425.93185 on output line 2020 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical heat mismatch between -205.75414 on reference line 2660 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -205.75541 on output line 2660 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical mismatch between -860.87533 on reference line 2660 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -860.88062 on output line 2660 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical heat mismatch between 41.89936 on reference line 3300 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 41.89823 on output line 3300 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical mismatch between 175.30693 on reference line 3300 in /build/reproducible-path/mopac-23.0.3/tests/keywords and 175.30219 on output line 3300 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical heat mismatch between -102.57995 on reference line 3940 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -102.58117 on output line 3940 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
114: WARNING: numerical mismatch between -429.19453 on reference line 3940 in /build/reproducible-path/mopac-23.0.3/tests/keywords and -429.1996 on output line 3940 in /build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu/mopac
122/124 Test #114: key-ROOT .........................   Passed   12.77 sec
3: 
3: 
3:           MOPAC Job: "test_Lewis_for_Proteins.mop" ended normally on Feb 16, 2025, at 02:45.
3: 
123/124 Test   #3: mozyme ...........................   Passed   37.39 sec
2: 
2: 
2:           MOPAC Job: "Crambin_1SCF.mop" ended normally on Feb 16, 2025, at 02:45.
2: 
124/124 Test   #2: crambin ..........................   Passed   41.03 sec

99% tests passed, 1 tests failed out of 124

Total Test time (real) =  41.04 sec

The following tests FAILED:
	 22 - locate_ts (Failed)
Errors while running CTest
make[1]: *** [Makefile:94: test] Error 8
make[1]: Leaving directory '/build/reproducible-path/mopac-23.0.3/obj-x86_64-linux-gnu'
dh_auto_test: error: cd obj-x86_64-linux-gnu && make -j8 test ARGS\+=--verbose ARGS\+=-j8 returned exit code 2
make: *** [debian/rules:6: binary] Error 25
dpkg-buildpackage: error: debian/rules binary subprocess returned exit status 2