Bug#1114451: marked as done (xtb: FTBFS: Fatal Error: Cannot open module file ‘xtb_docking_search_nci.mod’ for reading at (1): No such file or directory)

Debian Bug Tracking System Mon, 15 Sep 2025 23:51:25 -0700

Your message dated Tue, 16 Sep 2025 06:49:57 +0000
with message-id <[email protected]>
and subject line Bug#1114451: fixed in xtb 6.7.1-3
has caused the Debian Bug report #1114451,
regarding xtb: FTBFS: Fatal Error: Cannot open module file 
‘xtb_docking_search_nci.mod’ for reading at (1): No such file or directory
to be marked as done.


This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.

(NB: If you are a system administrator and have no idea what this
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misconfiguration somewhere. Please contact [email protected]
immediately.)


-- 
1114451: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=1114451
Debian Bug Tracking System
Contact [email protected] with problems

--- Begin Message ---

Package: src:xtb
Version: 6.7.1-2
Severity: serious
Tags: ftbfs forky sid

Dear maintainer:

During a rebuild of all packages in unstable, your package failed to build.

Below you will find how the build ends (probably the most relevant part,
but not necessarily). If required, the full build log is available here:

https://people.debian.org/~sanvila/build-logs/202509/

About the archive rebuild: The build was made on virtual machines from AWS,
using sbuild and a reduced chroot with only build-essential packages.

If you could not reproduce the bug please contact me privately, as I
am willing to provide ssh access to a virtual machine where the bug is
fully reproducible.

If this is really a bug in one of the build-depends, please use
reassign and add an affects on src:xtb, so that this is still
visible in the BTS web page for this package.

Thanks.

--------------------------------------------------------------------------------
[...]
 debian/rules clean
dh clean --buildsystem meson
   dh_auto_clean -O--buildsystem=meson
   dh_autoreconf_clean -O--buildsystem=meson
   dh_clean -O--buildsystem=meson
 debian/rules binary
dh binary --buildsystem meson
   dh_update_autotools_config -O--buildsystem=meson
   dh_autoreconf -O--buildsystem=meson
   dh_auto_configure -O--buildsystem=meson
        cd obj-x86_64-linux-gnu && DEB_PYTHON_INSTALL_LAYOUT=deb LC_ALL=C.UTF-8 
meson setup .. --wrap-mode=nodownload --buildtype=plain --prefix=/usr 
--sysconfdir=/etc --localstatedir=/var --libdir=lib/x86_64-linux-gnu 
-Dpython.bytecompile=-1
The Meson build system
Version: 1.9.0
Source dir: /<<PKGBUILDDIR>>

[... snipped ...]

../src/optimizer.f90:253:16:

  253 |    integer  :: n3,i,j,k,l,jjj,ic,jc,ia,ja,ii,jj,info
      |                1~
Warning: Unused variable ân3â declared at (1) [-Wunused-variable]
../src/optimizer.f90:254:16:

  254 |    integer  :: nread,itry,iii
      |                1~~~~
Warning: Unused variable ânreadâ declared at (1) [-Wunused-variable]
../src/optimizer.f90:200:25:

  200 |    type(scc_results) :: res
      |                         1~~
Warning: Unused variable âresâ declared at (1) [-Wunused-variable]
../src/optimizer.f90:251:27:

  251 |    real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                           1~~~~~
Warning: Unused variable ârijâ declared at (1) [-Wunused-variable]
../src/optimizer.f90:250:16:

  250 |    real(wp) :: step,amu2au,au2cm,dumi,dumj,damp,edum,thr,aaa,bbb
      |                1~~~
Warning: Unused variable âstepâ declared at (1) [-Wunused-variable]
../src/optimizer.f90:248:16:

  248 |    real(wp) :: step_hess
      |                1~~~~~~~~
Warning: Unused variable âstep_hessâ declared at (1) [-Wunused-variable]
../src/optimizer.f90:251:37:

  251 |    real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                     1~
Warning: Unused variable ât0â declared at (1) [-Wunused-variable]
../src/optimizer.f90:251:34:

  251 |    real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                  1~
Warning: Unused variable ât1â declared at (1) [-Wunused-variable]
../src/optimizer.f90:275:28:

  275 |    integer, allocatable :: totsym(:)
      |                            1~~~~~~~~
Warning: Unused variable âtotsymâ declared at (1) [-Wunused-variable]
../src/optimizer.f90:251:43:

  251 |    real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                           1~
Warning: Unused variable âw0â declared at (1) [-Wunused-variable]
../src/optimizer.f90:251:40:

  251 |    real(wp) :: energy,acc,rij(3),t1,t0,w1,w0,ccc
      |                                        1~
Warning: Unused variable âw1â declared at (1) [-Wunused-variable]
[313/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_rdcoord2.f90.o -c ../src/rdcoord2.f90
../src/rdcoord2.f90:286:16:

  286 |    logical  :: exist
      |                1~~~~
Warning: Unused variable âexistâ declared at (1) [-Wunused-variable]
../src/rdcoord2.f90:281:36:

  281 |    character(len=:),allocatable :: wfile
      |                                    1~~~~
Warning: Unused variable âwfileâ declared at (1) [-Wunused-variable]
../src/rdcoord2.f90:41:18:

   41 |    integer  :: j,k,ich,cs,cf,ncheck
      |                  1
Warning: Unused variable âkâ declared at (1) [-Wunused-variable]
[314/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_main_setup.f90.o -c ../src/main/setup.f90
[315/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_api_calculator.f90.o -c ../src/api/calculator.f90
[316/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_api_interface.f90.o -c ../src/api/interface.f90
[317/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_main_defaults.f90.o -c ../src/main/defaults.f90
[318/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_iff_iff_prepare.f90.o -c ../src/iff/iff_prepare.f90
../src/iff/iff_prepare.f90:150:41:

  150 |          if (uhf(1) /= 0.0_wp) mol%uhf = uhf(1)
      |                                         1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at 
(1) [-Wconversion]
../src/iff/iff_prepare.f90:153:41:

  153 |          if (uhf(2) /= 0.0_wp) mol%uhf = uhf(2)
      |                                         1
Warning: Possible change of value in conversion from REAL(8) to INTEGER(4) at 
(1) [-Wconversion]
../src/iff/iff_prepare.f90:109:18:

  109 |       integer :: gsolvstate !Should be gas
      |                  1~~~~~~~~~
Warning: Unused variable âgsolvstateâ declared at (1) [-Wunused-variable]
../src/iff/iff_prepare.f90:61:31:

   61 |       integer, allocatable :: at(:)
      |                               1~~~~
Warning: Unused variable âatâ declared at (1) [-Wunused-variable]
../src/iff/iff_prepare.f90:62:32:

   62 |       real(wp), allocatable :: xyz(:, :)
      |                                1~~~~~~~~
Warning: Unused variable âxyzâ declared at (1) [-Wunused-variable]
../src/iff/iff_prepare.f90:230:37:

  230 |          set%mode_extrun = extrun_tmp
      |                                     ^
Warning: âextrun_tmpâ may be used uninitialized [-Wmaybe-uninitialized]
../src/iff/iff_prepare.f90:120:18:

  120 |       integer :: extrun_tmp
      |                  ^~~~~~~~~~
note: âextrun_tmpâ was declared here
../src/iff/iff_prepare.f90:231:34:

  231 |          set%newdisp = newdisp_tmp
      |                                  ^
Warning: ânewdisp_tmpâ may be used uninitialized [-Wmaybe-uninitialized]
../src/iff/iff_prepare.f90:122:18:

  122 |       logical :: newdisp_tmp
      |                  ^~~~~~~~~~~
note: ânewdisp_tmpâ was declared here
[319/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_vertical.f90.o -c ../src/vertical.f90
[320/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_wrbas.f90.o -c ../src/wrbas.f90
../src/wrbas.f90:18:54:

   18 | subroutine write_tm_basis(iunit,xtbData,nat,at,basis,wfn)
      |                                                      1~~
Warning: Unused dummy argument âwfnâ at (1) [-Wunused-dummy-argument]
[321/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_wrgbw.f90.o -c ../src/wrgbw.f90
../src/wrgbw.f90:82:50:

   82 |    integer :: i,ish,ati,ishtyp,icao,iao,ip,iprim,icount
      |                                                  1~~~~~
Warning: Unused variable âicountâ declared at (1) [-Wunused-variable]
[322/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_wrmodef.f90.o -c ../src/wrmodef.f90
../src/wrmodef.f90:37:36:

   37 |    integer i,k,j,ik,kl,l,root,lend,b1,b2,n3
      |                                    1~
Warning: Unused variable âb1â declared at (1) [-Wunused-variable]
../src/wrmodef.f90:37:39:

   37 |    integer i,k,j,ik,kl,l,root,lend,b1,b2,n3
      |                                       1~
Warning: Unused variable âb2â declared at (1) [-Wunused-variable]
../src/wrmodef.f90:30:21:

   30 |    real(wp) :: norm,w
      |                     1
Warning: Unused variable âwâ declared at (1) [-Wunused-variable]
../src/wrmodef.f90:18:35:

   18 | subroutine wrmodef(typ,n,at,xyzin,wbo,rmass,freq,u,udum,vthr,linear)
      |                                   1~~
Warning: Unused dummy argument âwboâ at (1) [-Wunused-dummy-argument]
[323/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_wrmo.f90.o -c ../src/wrmo.f90
../src/wrmo.f90:18:33:

   18 | subroutine write_tm_mos(iunit,n,at,basis,wfn)
      |                                 1~
Warning: Unused dummy argument âatâ at (1) [-Wunused-dummy-argument]
../src/wrmo.f90:18:36:

   18 | subroutine write_tm_mos(iunit,n,at,basis,wfn)
      |                                    1~~~~
Warning: Unused dummy argument âbasisâ at (1) [-Wunused-dummy-argument]
[324/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_xhelp.f90.o -c ../src/xhelp.f90
[325/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_zmatpr.f90.o -c ../src/zmatpr.f90
../src/zmatpr.f90:29:16:

   29 |    logical  :: ex
      |                1~
Warning: Unused variable âexâ declared at (1) [-Wunused-variable]
[326/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/symmetry_symmetry.f90.o -c ../symmetry/symmetry.f90
[327/351] /usr/bin/meson --internal depaccumulate xtb.p/depscan.dd 
xtb.p/depscan.json libxtb.a.p/depscan.json
[328/351] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include 
-Ilibxtb.so.6.7.1.p -I/usr/include/x86_64-linux-gnu 
-I/usr/include/mctc-lib/modules -fdiagnostics-color=always 
-D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 
-ffree-line-length-none -fbacktrace -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. 
-fstack-protector-strong -fstack-clash-protection -fcf-protection -pthread 
-fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o 
xtb.p/src_prog_argparser.f90.o -c ../src/prog/argparser.f90
[329/351] gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include 
-Ilibxtb.so.6.7.1.p -I/usr/include/x86_64-linux-gnu 
-I/usr/include/mctc-lib/modules -fdiagnostics-color=always 
-D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 -fdefault-double-8 
-ffree-line-length-none -fbacktrace -g -O2 -ffile-prefix-map=/<<PKGBUILDDIR>>=. 
-fstack-protector-strong -fstack-clash-protection -fcf-protection -pthread 
-fopenmp -DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_dock.f90.o -c 
../src/prog/dock.f90
FAILED: xtb.p/src_prog_dock.f90.o xtb.p/xtb_prog_dock.mod 
gfortran -Ilibxtb.a.p -Ixtb.p -I. -I.. -I../include -Ilibxtb.so.6.7.1.p 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -pthread -fopenmp -DWITH_TBLITE=0 
-DWITH_CPCMX=0 -Jxtb.p -o xtb.p/src_prog_dock.f90.o -c ../src/prog/dock.f90
../src/prog/dock.f90:47:8:

   47 |    use xtb_docking_search_nci, only: docking_search
      |        1
Fatal Error: Cannot open module file âxtb_docking_search_nci.modâ for 
reading at (1): No such file or directory
compilation terminated.
[330/351] gfortran -Ilibxtb.so.6.7.1.p -I. -I.. -I../include 
-I/usr/include/x86_64-linux-gnu -I/usr/include/mctc-lib/modules 
-fdiagnostics-color=always -D_FILE_OFFSET_BITS=64 -Wall -fdefault-real-8 
-fdefault-double-8 -ffree-line-length-none -fbacktrace -g -O2 
-ffile-prefix-map=/<<PKGBUILDDIR>>=. -fstack-protector-strong 
-fstack-clash-protection -fcf-protection -fPIC -pthread -fopenmp 
-DWITH_TBLITE=0 -DWITH_CPCMX=0 -Jlibxtb.so.6.7.1.p -o 
libxtb.so.6.7.1.p/src_relaxation_engine.f90.o -c ../src/relaxation_engine.f90
../src/relaxation_engine.f90:1003:24:

 1003 |       Aaug(i*(1+i)/2) = 1.0_wp / hdiag(i)
      |                        1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) 
[-Wconversion]
../src/relaxation_engine.f90:1005:28:

 1005 |    Aaug(npvar+1:npvar1-1) = g_anc
      |                            1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) 
[-Wconversion]
../src/relaxation_engine.f90:635:21:

  635 |          hess(i,j) = hessp(ij)
      |                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) 
[-Wconversion]
../src/relaxation_engine.f90:636:21:

  636 |          hess(j,i) = hessp(ij)
      |                     1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) 
[-Wconversion]
../src/relaxation_engine.f90:676:35:

  676 |       where(abs(eig).gt.thr) eig = eig+damp
      |                                   1
Warning: Possible change of value in conversion from REAL(8) to REAL(4) at (1) 
[-Wconversion]
../src/relaxation_engine.f90:940:16:

  940 |    real(wp) :: depred
      |                1~~~~~
Warning: Unused variable âdepredâ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:934:19:

  934 |    integer :: i,j,ij
      |                   1~
Warning: Unused variable âijâ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:934:17:

  934 |    integer :: i,j,ij
      |                 1
Warning: Unused variable âjâ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:941:16:

  941 |    real(wp) :: max_displacement
      |                1~~~~~~~~~~~~~~~
Warning: Unused variable âmax_displacementâ declared at (1) 
[-Wunused-variable]
../src/relaxation_engine.f90:826:15:

  826 |    integer :: lastiter
      |               1~~~~~~~
Warning: Unused variable âlastiterâ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:193:16:

  193 |    real(wp) :: time
      |                1~~~
Warning: Unused variable âtimeâ declared at (1) [-Wunused-variable]
../src/relaxation_engine.f90:1320:70:

 1320 |                &       - lat_apar * lat_gradient/lat_gnorm * lat_speed
      |                                                                      ^
Warning: âlat_aparâ may be used uninitialized [-Wmaybe-uninitialized]
../src/relaxation_engine.f90:1227:16:

 1227 |    real(wp) :: lat_apar
      |                ^~~~~~~~
note: âlat_aparâ was declared here
../src/relaxation_engine.f90:1223:16:

 1223 |    real(wp) :: lat_gnorm
      |                ^~~~~~~~~
Warning: âlat_gnormâ may be used uninitialized [-Wmaybe-uninitialized]
../src/relaxation_engine.f90:1330:50:

 1330 |             lat_time_step = lat_time_step*opt%fdec
      |                                                  ^
Warning: âlat_time_stepâ may be used uninitialized [-Wmaybe-uninitialized]
../src/relaxation_engine.f90:1226:16:

 1226 |    real(wp) :: lat_time_step
      |                ^~~~~~~~~~~~~
note: âlat_time_stepâ was declared here
../src/relaxation_engine.f90:524:34:

  524 |          if (avconv%nlog > 0 .and. pr) then
      |                                  ^
Warning: âprâ may be used uninitialized [-Wmaybe-uninitialized]
../src/relaxation_engine.f90:452:15:

  452 |    logical :: pr
      |               ^~
note: âprâ declared here
ninja: build stopped: subcommand failed.
dh_auto_build: error: cd obj-x86_64-linux-gnu && LC_ALL=C.UTF-8 ninja -j2 -v 
returned exit code 1
make: *** [debian/rules:4: binary] Error 25
dpkg-buildpackage: error: debian/rules binary subprocess returned exit status 2
--------------------------------------------------------------------------------

--- End Message ---

--- Begin Message ---

Source: xtb
Source-Version: 6.7.1-3
Done: Andrius Merkys <[email protected]>

We believe that the bug you reported is fixed in the latest version of
xtb, which is due to be installed in the Debian FTP archive.

A summary of the changes between this version and the previous one is
attached.

Thank you for reporting the bug, which will now be closed.  If you
have further comments please address them to [email protected],
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Andrius Merkys <[email protected]> (supplier of updated xtb package)

(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing [email protected])


-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA512

Format: 1.8
Date: Tue, 16 Sep 2025 02:29:53 -0400
Source: xtb
Architecture: source
Version: 6.7.1-3
Distribution: unstable
Urgency: medium
Maintainer: Debichem Team <[email protected]>
Changed-By: Andrius Merkys <[email protected]>
Closes: 1114451
Changes:
 xtb (6.7.1-3) unstable; urgency=medium
 .
   * Forbid parallel builds (Closes: #1114451)
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 c8f0d6fbf6c24f16f943953f2e4f0ffc1eff8249 10204 xtb_6.7.1-3.debian.tar.xz
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 81fe6288b619a5ddc7789cd32de88934 10204 science optional 
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--- End Message ---

Bug#1114451: marked as done (xtb: FTBFS: Fatal Error: Cannot open module file ‘xtb_docking_search_nci.mod’ for reading at (1): No such file or directory)

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