update to v6.7. – trial no. 1 #111
Annotations
1 error and 3 warnings
Run brew test-bot --only-formulae
grimme-lab/qc/xtb 6.7.1 did not build
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Run brew test-bot --only-formulae:
Formula/xtb.rb#L31
/opt/homebrew/bin/gfortran -Ilibxtb.6.dylib.p -I. -I.. -I../include -I/opt/homebrew/Cellar/openblas/0.3.28/include -I/opt/homebrew/Cellar/mctc-lib/0.3.2_1/include -I/opt/homebrew/Cellar/mctc-lib/0.3.2_1/include/mctc-lib/modules -I/opt/homebrew/Cellar/tblite/0.4.0/include -I/opt/homebrew/Cellar/tblite/0.4.0/include/tblite/gcc-14.2.0 -I/opt/homebrew/Cellar/dftd4/3.7.0/include -I/opt/homebrew/Cellar/dftd4/3.7.0/include/dftd4/gcc-14.2.0 -I/opt/homebrew/Cellar/multicharge/0.3.0/include -I/opt/homebrew/Cellar/multicharge/0.3.0/include/multicharge/gcc-14.2.0 -I/opt/homebrew/Cellar/s-dftd3/1.2.1/include -I/opt/homebrew/Cellar/s-dftd3/1.2.1/include/s-dftd3/gcc-14.2.0 -I/opt/homebrew/Cellar/toml-f/0.4.2/include -I/opt/homebrew/Cellar/toml-f/0.4.2/include/toml-f/modules -fdiagnostics-color=always -Wall -O2 -fdefault-real-8 -fdefault-double-8 -ffree-line-length-none -fbacktrace -fopenmp -DWITH_TBLITE=1 -DWITH_CPCMX=0 -Jlibxtb.6.dylib.p -o libxtb.6.dylib.p/src_dipro_xtb.F90.o -c ../src/dipro/xtb.F90
../src/dipro/xtb.F90:53:42:
53 | call new_gfn2_calculator(xcalc, mol)
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Error: Missing actual argument for argument 'error' at (1)
../src/dipro/xtb.F90:55:42:
55 | call new_gfn1_calculator(xcalc, mol)
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Error: Missing actual argument for argument 'error' at (1)
../src/dipro/xtb.F90:57:43:
57 | call new_ipea1_calculator(xcalc, mol)
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Error: Missing actual argument for argument 'error' at (1)
[9/379] Compiling Fortran object libxtb.6.dylib.p/src_dipro_output.f90.o
[10/379] Compiling C object libxtb.6.dylib.p/symmetry_symmetry_i.c.o
ninja: build stopped: subcommand failed.
INFO: autodetecting backend as ninja
INFO: calculating backend command to run: /opt/homebrew/Library/Homebrew/shims/mac/super/ninja -C /private/tmp/xtb-20241121-12328-vgmtrg/xtb-6.7.1/_build
==> Formula
Tap: grimme-lab/qc
Path: /opt/homebrew/Library/Taps/grimme-lab/homebrew-qc/Formula/xtb.rb
==> Configuration
HOMEBREW_VERSION: 4.4.6-27-g9dad99b
ORIGIN: https://github.com/Homebrew/brew
HEAD: 9dad99bdcd9ae0ef10273c01702f952efda69da2
Last commit: 2 hours ago
Core tap HEAD: 6aee5b0c80223202941331c5c4e991324d31005e
Core tap last commit: 4 weeks ago
Core tap JSON: 21 Nov 10:43 UTC
Core cask tap HEAD: a4f01f22e07ef5326cc2d855a513dca5ca12d17c
Core cask tap last commit: 4 weeks ago
Core cask tap JSON: 21 Nov 10:43 UTC
HOMEBREW_PREFIX: /opt/homebrew
HOMEBREW_BOOTSNAP: set
HOMEBREW_CACHE: /Users/runner/Library/Caches/Homebrew
HOMEBREW_CASK_OPTS: ["--no-quarantine"]
HOMEBREW_COLOR: set
HOMEBREW_CURL_PATH: /usr/bin/curl
HOMEBREW_FAIL_LOG_LINES: 150
HOMEBREW_GITHUB_API_TOKEN: set
HOMEBREW_GIT_EMAIL: [email protected]
HOMEBREW_GIT_NAME: BrewTestBot
HOMEBREW_GIT_PATH: /usr/bin/git
HOMEBREW_LOGS: /Users/runner/work/homebrew-qc/homebrew-qc/logs
HOMEBREW_MAKE_JOBS: 3
HOMEBREW_NO_AUTO_UPDATE: set
HOMEBREW_NO_EMOJI: set
HOMEBREW_NO_ENV_HINTS: set
HOMEBREW_NO_INSTALLED_DEPENDENTS_CHECK: set
HOMEBREW_NO_INSTALL_CLEANUP: set
HOMEBREW_SORBET_RUNTIME: set
Homebrew Ruby: 3.3.6 => /opt/homebrew/Library/Homebrew/vendor/portable-ruby/3.3.6/bin/ruby
CPU: 3-core 64-bit dunno
Clang: 15.0.0 build 1500
Git: 2.39.3 => /usr/bin/git
Curl: 8.7.1 => /usr/bin/curl
macOS: 14.7-arm64
CLT: 16.0.0.0.1.1724870825
Xcode: 15.4 => /Applications/Xcode_15.4.app/Contents/Developer
Rosetta 2: false
==> ENV
HOMEBREW_CC: gcc-14
HOMEBREW_CXX: g++-14
MAKEFLAGS: -j3
CMAKE_PREFIX_PATH: /opt/homebrew/opt/openblas:/opt/homebrew
CMAKE_INCLUDE_PATH: /Library/Developer/CommandLineTools/SDKs/MacOSX14.sdk/System/Library/Frameworks/OpenGL.framework/Versions/Current/Headers
CMAKE_LIBRARY_PATH: /Library/Developer/CommandLineTools/SDKs/MacOSX14.sdk/System/Library/Frameworks/OpenGL.framework/Versions/Current/Libraries
PKG_CONFIG_PATH: /opt/homebrew/opt/pkgconf/lib/pkgconfig:/opt/homebrew/opt/test-drive/lib/pkgconfig:/opt/homebrew/opt/gmp/lib/pkgconfig:/opt/homebrew/opt/isl/lib/pkgconfig:/opt/homebrew/opt/mpfr/lib/pkgcon
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