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Cannot configure master branch with tblite

Open foxtran opened this issue 3 months ago • 0 comments

Describe the bug Cannot configure master branch with tblite

To Reproduce Steps to reproduce the behaviour:

  1. git clone [email protected]:grimme-lab/xtb.git
  2. cd xtb
  3. cmake -Bbuild.tblite -DCMAKE_C_COMPILER=gcc -DCMAKE_Fortran_COMPILER=gfortran -DWITH_CPCMX=OFF -DWITH_TBLITE=ON -DCMAKE_BUILD_TYPE=Release -DCMAKE_Fortran_FLAGS="-g"
  4. output showing the error:
-- Retrieving mctc-lib from https://github.com/grimme-lab/mctc-lib
-- Retrieving tblite from https://github.com/tblite/tblite
-- Looking for Fortran sgemm
-- Looking for Fortran sgemm - found
-- Found BLAS: libmkl_gf_lp64.so;/libmkl_gnu_thread.so;libmkl_core.so;libgomp.so;-lpthread;-lm;-ldl;-lpthread;-lm;-ldl
-- Looking for Fortran cheev
-- Looking for Fortran cheev - found
-- Found LAPACK: libmkl_gf_lp64.so;/libmkl_gnu_thread.so;libmkl_core.so;libgomp.so;-lpthread;-lm;-ldl;-lpthread;-lm;-ldl
-- mstore: Find installed package
-- Retrieving mstore from https://github.com/grimme-lab/mstore
-- toml-f: Find installed package
-- Retrieving toml-f from https://github.com/toml-f/toml-f
CMake Deprecation Warning at build.tblite/_deps/toml-f-src/CMakeLists.txt:14 (cmake_minimum_required):
  Compatibility with CMake < 3.10 will be removed from a future version of
  CMake.

  Update the VERSION argument <min> value.  Or, use the <min>...<max> syntax
  to tell CMake that the project requires at least <min> but has been updated
  to work with policies introduced by <max> or earlier.


-- Retrieving test-drive from https://github.com/fortran-lang/test-drive
CMake Deprecation Warning at build.tblite/_deps/test-drive-src/CMakeLists.txt:14 (cmake_minimum_required):
  Compatibility with CMake < 3.10 will be removed from a future version of
  CMake.

  Update the VERSION argument <min> value.  Or, use the <min>...<max> syntax
  to tell CMake that the project requires at least <min> but has been updated
  to work with policies introduced by <max> or earlier.


-- Performing Test WITH_QP
-- Performing Test WITH_QP - Failed
-- Performing Test WITH_XDP
-- Performing Test WITH_XDP - Failed
-- dftd4: Find installed package
-- Retrieving dftd4 from https://github.com/dftd4/dftd4
[ 11%] Creating directories for 'dftd4-populate'
[ 22%] Performing download step (git clone) for 'dftd4-populate'
Cloning into 'dftd4-src'...
HEAD is now at 7b2ff85 Release version 3.7.0 (#231)
Submodule 'assets/aur/dftd4' (https://aur.archlinux.org/dftd4.git) registered for path 'assets/aur/dftd4'
Submodule 'assets/aur/dftd4-git' (https://aur.archlinux.org/dftd4-git.git) registered for path 'assets/aur/dftd4-git'
Cloning into 'xtb/build.tblite/_deps/dftd4-src/assets/aur/dftd4'...
fatal: unable to access 'https://aur.archlinux.org/dftd4.git/': OpenSSL SSL_connect: SSL_ERROR_SYSCALL in connection to aur.archlinux.org:443
fatal: clone of 'https://aur.archlinux.org/dftd4.git' into submodule path 'xtb/build.tblite/_deps/dftd4-src/assets/aur/dftd4' failed
Failed to clone 'assets/aur/dftd4'. Retry scheduled
Cloning into 'xtb/build.tblite/_deps/dftd4-src/assets/aur/dftd4-git'...
fatal: unable to access 'https://aur.archlinux.org/dftd4-git.git/': OpenSSL SSL_connect: SSL_ERROR_SYSCALL in connection to aur.archlinux.org:443
fatal: clone of 'https://aur.archlinux.org/dftd4-git.git' into submodule path 'xtb/build.tblite/_deps/dftd4-src/assets/aur/dftd4-git' failed
Failed to clone 'assets/aur/dftd4-git'. Retry scheduled
Cloning into 'xtb/build.tblite/_deps/dftd4-src/assets/aur/dftd4'...
fatal: unable to access 'https://aur.archlinux.org/dftd4.git/': OpenSSL SSL_connect: SSL_ERROR_SYSCALL in connection to aur.archlinux.org:443
fatal: clone of 'https://aur.archlinux.org/dftd4.git' into submodule path 'xtb/build.tblite/_deps/dftd4-src/assets/aur/dftd4' failed
Failed to clone 'assets/aur/dftd4' a second time, aborting
CMake Error at dftd4-subbuild/dftd4-populate-prefix/tmp/dftd4-populate-gitclone.cmake:75 (message):
  Failed to update submodules in:
  'xtb/build.tblite/_deps/dftd4-src'


gmake[2]: *** [CMakeFiles/dftd4-populate.dir/build.make:102: dftd4-populate-prefix/src/dftd4-populate-stamp/dftd4-populate-download] Error 1
gmake[1]: *** [CMakeFiles/Makefile2:87: CMakeFiles/dftd4-populate.dir/all] Error 2
gmake: *** [Makefile:91: all] Error 2

CMake Error at cmake-3.31/Modules/FetchContent.cmake:1918 (message):
  Build step for dftd4 failed: 2
Call Stack (most recent call first):
  cmake-3.31/Modules/FetchContent.cmake:1609 (__FetchContent_populateSubbuild)
  cmake-3.31/Modules/FetchContent.cmake:2145:EVAL:2 (__FetchContent_doPopulation)
  cmake-3.31/Modules/FetchContent.cmake:2145 (cmake_language)
  cmake-3.31/Modules/FetchContent.cmake:2384 (__FetchContent_Populate)
  build.tblite/_deps/tblite-src/config/cmake/tblite-utils.cmake:94 (FetchContent_MakeAvailable)
  build.tblite/_deps/tblite-src/config/cmake/Finddftd4.cmake:33 (tblite_find_package)
  build.tblite/_deps/tblite-src/CMakeLists.txt:56 (find_package)


-- Configuring incomplete, errors occurred!

Expected behaviour Configure should be completed successfully.

Additional context

dftd4 was fixed here: https://github.com/dftd4/dftd4/pull/306, but still no new releases with this fix. tblite should be updated too.

foxtran avatar Nov 09 '25 19:11 foxtran