CMake build failure about dftd4

[awvwgk]

I get a successful build from 6e5709f with a clean project directory.

Looks like you are fetching the subproject dependencies with CMake, be aware that CMake is allowed to pick up dependencies from subprojects/ as well in case they were previously initialized (by meson or manually). A stale version of mctc-lib there might be the issue, either remove all subdirs from subprojects or set -Ddftd4-dependency-method=fetch to limit the CMake build to fetching from the upstream projects only.

Build logs

❯ rm -rf subprojects/*/
❯ cmake --version
cmake version 3.21.1

CMake suite maintained and supported by Kitware (kitware.com/cmake).
❯ cmake -B __build
-- The Fortran compiler identification is GNU 11.1.0
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Check for working Fortran compiler: /usr/bin/f95 - skipped
-- Checking whether /usr/bin/f95 supports Fortran 90
-- Checking whether /usr/bin/f95 supports Fortran 90 - yes
-- Setting build type to 'RelWithDebInfo' as none was specified.
-- Found OpenMP_Fortran: -fopenmp (found version "4.5") 
-- Found OpenMP: TRUE (found version "4.5")  
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - not found
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - found
-- Found BLAS: /usr/lib/libopenblas.so  
-- mctc-lib: Find installed package
-- Could NOT find mctc-lib (missing: mctc-lib_DIR)
-- Retrieving mctc-lib from https://github.com/grimme-lab/mctc-lib
-- mstore: Find installed package
-- Could NOT find mstore (missing: mstore_DIR)
-- Retrieving mstore from https://github.com/grimme-lab/mstore
-- multicharge: Find installed package
-- Could NOT find multicharge (missing: multicharge_DIR)
-- Retrieving multicharge from https://github.com/grimme-lab/multicharge
-- Looking for Fortran cheev
-- Looking for Fortran cheev - not found
-- Looking for Fortran cheev
-- Looking for Fortran cheev - not found
-- Looking for Fortran cheev
-- Looking for Fortran cheev - not found
-- Looking for Fortran cheev
-- Looking for Fortran cheev - found
-- Found LAPACK: /usr/lib/liblapack.so;/usr/lib/libopenblas.so  
-- Configuring done
-- Generating done
-- Build files have been written to: /home/awvwgk/projects/src/git/mctc-tools/dftd4/__build
❯ make -C __build -j
make: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[1]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
Scanning dependencies of target mctc-lib-lib
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
[  1%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/env/system.f90.o
[  2%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/env/accuracy.f90.o
[  3%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/filetype.f90.o
[  3%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/env/error.f90.o
[  4%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/utils.f90.o
[  5%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/version.f90.o
[  6%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/constants.f90.o
[  7%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/structure/info.f90.o
[  8%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/resize.f90.o
[  9%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/env.f90.o
[ 10%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/env/testing.f90.o
[ 11%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/convert.f90.o
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[ 13%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/structure.f90.o
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[ 15%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/read/pdb.f90.o
[ 16%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/read/genformat.f90.o
[ 16%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/read/turbomole.f90.o
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[ 25%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io/read.f90.o
[ 25%] Building Fortran object _deps/mctc-lib-build/CMakeFiles/mctc-lib-lib.dir/src/mctc/io.f90.o
[ 26%] Linking Fortran static library libmctc-lib.a
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
[ 26%] Built target mctc-lib-lib
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
Scanning dependencies of target mctc-convert
Scanning dependencies of target tester
Scanning dependencies of target multicharge-lib
Scanning dependencies of target mstore-lib
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
[ 27%] Building Fortran object _deps/mctc-lib-build/app/CMakeFiles/mctc-convert.dir/main.f90.o
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
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make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
[ 53%] Built target mctc-convert
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[ 60%] Building Fortran object _deps/mctc-lib-build/test/CMakeFiles/tester.dir/main.f90.o
[ 61%] Linking Fortran executable tester
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
[ 61%] Built target tester
[ 63%] Building Fortran object _deps/multicharge-build/CMakeFiles/multicharge-lib.dir/src/multicharge/param.f90.o
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[ 65%] Linking Fortran static library libmulticharge.a
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
[ 65%] Built target multicharge-lib
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
Scanning dependencies of target dftd4-lib
Scanning dependencies of target multicharge-exe
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
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make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
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make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
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[ 93%] Linking Fortran static library libdftd4.a
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
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make[2]: Entering directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
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Scanning dependencies of target dftd4-exe
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[ 96%] Building Fortran object test/unit/CMakeFiles/dftd4-tester.dir/test_pairwise.f90.o
[ 97%] Building Fortran object test/unit/CMakeFiles/dftd4-tester.dir/test_periodic.f90.o
[ 98%] Linking Fortran executable dftd4
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
[ 98%] Built target dftd4-exe
[ 99%] Building Fortran object test/unit/CMakeFiles/dftd4-tester.dir/main.f90.o
[100%] Linking Fortran executable dftd4-tester
make[2]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
[100%] Built target dftd4-tester
make[1]: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'
make: Leaving directory '/home/awvwgk/projects/src/git/mctc-tools/dftd4/__build'

[e-kwsm]

Also, dependency is not resolved, i.e. make tries compiling multicharge prior to mctc-lib; anyway, make mctc-lib-lib && make multicharge-lib fails due to include path problem as described above.

[e-kwsm]

Oh, I didn’t reload.

Adding -Ddftd4-dependency-method=fetch fixes the issue.
Thank you.