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grimme-lab / xtb

Semiempirical Extended Tight-Binding Program Package
https://xtb-docs.readthedocs.io/
GNU Lesser General Public License v3.0
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Failing CMake build for 6.7.1 #1130

Open greghjones opened 1 week ago

greghjones commented 1 week ago

Describe the bug XTB fails to build using CMake with GCC 12.2.0 on file gfnff/gfnff_eg.f90.

This seems to be orthogonal to #1091, although I can hit that error with make -j16 -C build.

To Reproduce Steps to reproduce the behaviour:

  1. git clone --branch v6.7.1 --depth 1 https://github.com/grimme-lab/xtb.git
  2. cmake -B build -DCMAKE_BUILD_TYPE=Release
  3. make -C build
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:4049:45:

 4049 |   real(wp), intent(in) :: rTrans( 3, product(2*ewaldCutD+1))
      |                                             1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:4051:44:

 4051 |   real(wp), intent(in) :: gTrans(3, product(2*ewaldCutR+1)-1)
      |                                            1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:4051:44:

 4051 |   real(wp), intent(in) :: gTrans(3, product(2*ewaldCutR+1)-1)
      |                                            1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:4049:45:

 4049 |   real(wp), intent(in) :: rTrans( 3, product(2*ewaldCutD+1))
      |                                             1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:4049:45:

 4049 |   real(wp), intent(in) :: rTrans( 3, product(2*ewaldCutD+1))
      |                                             1
Error: ‘array’ argument of ‘product’ intrinsic at (1) must be an array
/home/gh.jones/red/build_software/xtb/6.7.1/src/gfnff/gfnff_eg.f90:1071:68:

 1071 |            write(*,'(10x,"No H-atom found in this bond ",i0,1x,i0)'), iat,jat
      |

Additional context

CMake version: 3.30.5 GCC/gfortran: 12.2.0 Distro: Red Hat Enterprise Linux release 8.10 (Ootpa) BLAS/LAPACK vendor: AOCL 5.0