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update crest to 3.0.2 #117

update crest to 3.0.2

update crest to 3.0.2 #117

Triggered via pull request November 21, 2024 11:27
Status Failure
Total duration 4m 27s
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tests.yml

on: pull_request
Matrix: test-bot
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10 errors and 8 warnings
test-bot (macos-15)
grimme-lab/qc/crest 3.0.2 did not build
test-bot (macos-14)
grimme-lab/qc/crest 3.0.2 did not build
test-bot (ubuntu-24.04)
grimme-lab/qc/crest 3.0.2 did not build
`brew install --verbose --formula --build-bottle grimme-lab/qc/crest` failed on Linux!: Formula/crest.rb#L29
external dsygvd; call dsygvd(); end ----------- Command line: `/home/linuxbrew/.linuxbrew/bin/gfortran -I/home/linuxbrew/.linuxbrew/Cellar/openblas/0.3.28/include /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmpohw912w6/testfile.f90 -o /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmpohw912w6/output.exe -D_FILE_OFFSET_BITS=64 -O0 /home/linuxbrew/.linuxbrew/Cellar/openblas/0.3.28/lib/libopenblas.so -static` -> 1 stderr: ld: attempted static link of dynamic object `/home/linuxbrew/.linuxbrew/Cellar/openblas/0.3.28/lib/libopenblas.so' collect2: error: ld returned 1 exit status ----------- Determining dependency 'lapack' with pkg-config executable '/home/linuxbrew/.linuxbrew/opt/pkgconf/bin/pkg-config' env[PKG_CONFIG_PATH]: /home/linuxbrew/.linuxbrew/opt/pkgconf/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/gmp/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/isl/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/mpfr/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/lz4/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/xz/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/zlib/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/zstd/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/openblas/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/mctc-lib/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/multicharge/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/dftd4/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/mstore/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/toml-f/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/s-dftd3/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/tblite/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/xtb/lib/pkgconfig env[PKG_CONFIG]: /home/linuxbrew/.linuxbrew/opt/pkgconf/bin/pkg-config ----------- Called: `/home/linuxbrew/.linuxbrew/opt/pkgconf/bin/pkg-config --modversion lapack` -> 1 stderr: Package lapack was not found in the pkg-config search path. Perhaps you should add the directory containing `lapack.pc' to the PKG_CONFIG_PATH environment variable Package 'lapack' not found ----------- CMake binary for host machine is not cached CMake binary missing from cross or native file, or env var undefined. Trying a default CMake fallback at cmake Did not find CMake 'cmake' Found CMake: NO CMake binary for machine host machine not found. Giving up. Run-time dependency lapack found: NO (tried pkgconfig and cmake) Running compile: Working directory: /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmp_i5i4zf_ Code: stop; end program ----------- Command line: `/home/linuxbrew/.linuxbrew/bin/gfortran /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmp_i5i4zf_/testfile.f90 -o /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmp_i5i4zf_/output.exe -D_FILE_OFFSET_BITS=64 -O0 -llapack -Wl,--allow-shlib-undefined -static` -> 1 stderr: ld: cannot find -llapack: No such file or directory collect2: error: ld returned 1 exit status ----------- Running compile: Working directory: /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmpngrj15az Code: #include<stddef.h> #include<stdio.h> int main(void) { printf("%ld\n", (long)(sizeof(void *))); return 0; } ----------- Command line: `/home/linuxbrew/.linuxbrew/bin/gfortran /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmpngrj15az/testfile.f90 -o /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmpngrj15az/output.exe -D_FILE_OFFSET_BITS=64 -O0 -static` -> 1 stderr: /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmpngrj15az/testfile.f90:2:10: 2 | #include<stddef.h> | 1 Error: Invalid character in name at (1) /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmpngrj15az/testfile.f90:3:10: 3 | #include<stdio.h> | 1 Error: Invalid character in name at (1) /tmp/crest-20241121-14485-wvj58p/crest-3.0.2/_build/meson-private/tmpngrj15az/testfile.f90:6:19: 6 | return 0; | 1 Error: Alternate RETURN statement at (1) i
test-bot (ubuntu-24.04)
install failed
test-bot (ubuntu-24.04)
Process completed with exit code 1.
test-bot (ubuntu-22.04)
grimme-lab/qc/crest 3.0.2 did not build
`brew install --verbose --formula --build-bottle grimme-lab/qc/crest` failed on Linux!: Formula/crest.rb#L29
external dsygvd; call dsygvd(); end ----------- Command line: `/home/linuxbrew/.linuxbrew/bin/gfortran -I/home/linuxbrew/.linuxbrew/Cellar/openblas/0.3.28/include /tmp/crest-20241121-14353-cuu85m/crest-3.0.2/_build/meson-private/tmpjtw4hdas/testfile.f90 -o /tmp/crest-20241121-14353-cuu85m/crest-3.0.2/_build/meson-private/tmpjtw4hdas/output.exe -D_FILE_OFFSET_BITS=64 -O0 /home/linuxbrew/.linuxbrew/Cellar/openblas/0.3.28/lib/libopenblas.so -static` -> 1 stderr: ld: attempted static link of dynamic object `/home/linuxbrew/.linuxbrew/Cellar/openblas/0.3.28/lib/libopenblas.so' collect2: error: ld returned 1 exit status ----------- Determining dependency 'lapack' with pkg-config executable '/home/linuxbrew/.linuxbrew/opt/pkgconf/bin/pkg-config' env[PKG_CONFIG_PATH]: /home/linuxbrew/.linuxbrew/opt/pkgconf/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/gmp/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/isl/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/mpfr/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/lz4/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/xz/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/zlib/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/zstd/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/openblas/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/mctc-lib/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/multicharge/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/dftd4/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/mstore/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/toml-f/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/s-dftd3/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/tblite/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/xtb/lib/pkgconfig env[PKG_CONFIG]: /home/linuxbrew/.linuxbrew/opt/pkgconf/bin/pkg-config ----------- Called: `/home/linuxbrew/.linuxbrew/opt/pkgconf/bin/pkg-config --modversion lapack` -> 1 stderr: Package lapack was not found in the pkg-config search path. Perhaps you should add the directory containing `lapack.pc' to the PKG_CONFIG_PATH environment variable Package 'lapack' not found ----------- CMake binary for host machine is not cached CMake binary missing from cross or native file, or env var undefined. Trying a default CMake fallback at cmake Did not find CMake 'cmake' Found CMake: NO CMake binary for machine host machine not found. Giving up. Run-time dependency lapack found: NO (tried pkgconfig and cmake) Running compile: Working directory: /tmp/crest-20241121-14353-cuu85m/crest-3.0.2/_build/meson-private/tmpimvf6tj6 Code: stop; end program ----------- Command line: `/home/linuxbrew/.linuxbrew/bin/gfortran /tmp/crest-20241121-14353-cuu85m/crest-3.0.2/_build/meson-private/tmpimvf6tj6/testfile.f90 -o /tmp/crest-20241121-14353-cuu85m/crest-3.0.2/_build/meson-private/tmpimvf6tj6/output.exe -D_FILE_OFFSET_BITS=64 -O0 -llapack -Wl,--allow-shlib-undefined -static` -> 0 Library lapack found: YES Determining dependency 'tblite' with pkg-config executable '/home/linuxbrew/.linuxbrew/opt/pkgconf/bin/pkg-config' env[PKG_CONFIG_PATH]: /home/linuxbrew/.linuxbrew/opt/pkgconf/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/gmp/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/isl/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/mpfr/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/lz4/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/xz/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/zlib/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/zstd/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/openblas/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/mctc-lib/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/multicharge/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/dftd4/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/mstore/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/toml-f/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/s-dftd3/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/tblite/lib/pkgconfig:/home/linuxbrew/.linuxbrew/opt/xtb/lib/pkgconfig env[PKG_CONFIG]: /home/linuxbrew/.linuxbrew/opt/pkgconf/bin/pkg-config ----------- Called: `/home/linuxbrew/.linuxbrew/opt/pkgconf/bin/pkg-config --modversion tblite` -> 0 stdout: 0.4.0 ----------- env[PKG_CONFIG_PATH]: /home/linuxbrew/.linuxbre
test-bot (ubuntu-22.04)
install failed
test-bot (ubuntu-22.04)
Process completed with exit code 1.
test-bot (macos-15)
No files were found with the provided path: *.bottle.*. No artifacts will be uploaded.
`brew install --verbose --formula --build-bottle grimme-lab/qc/crest` failed on macOS Sequoia (15) on Apple Silicon!: Formula/crest.rb#L29
meson.build:17:0: ERROR: Unable to detect linker for compiler `/opt/homebrew/bin/gfortran -Wl,--version -static` stdout: stderr: collect2 version 14.2.0 /opt/homebrew/Library/Homebrew/shims/mac/super/ld -demangle -syslibroot /Library/Developer/CommandLineTools/SDKs/MacOSX15.sdk/ -static -arch arm64 -platform_version macos 15.0.0 0.0 -o a.out -lcrt0.o -L/opt/homebrew/Cellar/gcc/14.2.0_1/bin/../lib/gcc/current/gcc/aarch64-apple-darwin24/14 -L/opt/homebrew/Cellar/gcc/14.2.0_1/bin/../lib/gcc/current/gcc -L/opt/homebrew/Cellar/gcc/14.2.0_1/bin/../lib/gcc/current/gcc/aarch64-apple-darwin24/14/../../.. -lemutls_w -lheapt_w --version -lgcc -no_compact_unwind -rpath @loader_path -rpath /opt/homebrew/Cellar/gcc/14.2.0_1/lib/gcc/current/gcc/aarch64-apple-darwin24/14 -rpath /opt/homebrew/Cellar/gcc/14.2.0_1/lib/gcc/current/gcc -rpath /opt/homebrew/Cellar/gcc/14.2.0_1/lib/gcc/current ld: library not found for -lcrt0.o collect2: error: ld returned 1 exit status A full log can be found at /private/tmp/crest-20241121-14091-dsbuoh/crest-3.0.2/_build/meson-logs/meson-log.txt ::group::==== CI platform detected, click here for meson-log.txt contents. ==== Build started at 2024-11-21T11:30:09.609463 Main binary: /opt/homebrew/opt/[email protected]/bin/python3.13 Build Options: -Dla_backend=openblas -Dprefix=/opt/homebrew/Cellar/crest/3.0.2 -Dlibdir=/opt/homebrew/Cellar/crest/3.0.2/lib -Dbuildtype=release -Dwrap_mode=nofallback Python system: Darwin The Meson build system Version: 1.6.0 Source dir: /private/tmp/crest-20241121-14091-dsbuoh/crest-3.0.2 Build dir: /private/tmp/crest-20241121-14091-dsbuoh/crest-3.0.2/_build Build type: native build Project name: crest Project version: 3.0.2 ----------- Detecting compiler via: `/opt/homebrew/bin/gfortran --help` -> 0 stdout: Usage: gfortran [options] file... Options: -pass-exit-codes Exit with highest error code from a phase. --help Display this information. --target-help Display target specific command line options (including assembler and linker options). --help={common|optimizers|params|target|warnings|[^]{joined|separate|undocumented}}[,...]. Display specific types of command line options. (Use '-v --help' to display command line options of sub-processes). --version Display compiler version information. -dumpspecs Display all of the built in spec strings. -dumpversion Display the version of the compiler. -dumpmachine Display the compiler's target processor. -foffload=<targets> Specify offloading targets. -print-search-dirs Display the directories in the compiler's search path. -print-libgcc-file-name Display the name of the compiler's companion library. -print-file-name=<lib> Display the full path to library <lib>. -print-prog-name=<prog> Display the full path to compiler component <prog>. -print-multiarch Display the target's normalized GNU triplet, used as a component in the library path. -print-multi-directory Display the root directory for versions of libgcc. -print-multi-lib Display the mapping between command line options and multiple library search directories. -print-multi-os-directory Display the relative path to OS libraries. -print-sysroot Display the target libraries directory. -print-sysroot-headers-suffix Display the sysroot suffix used to find headers. -Wa,<options> Pass comma-separated <options> on to the assembler. -Wp,<options> Pass comma-separated <options> on to the preprocessor. -Wl,<options> Pass comma-separated <options> on to the linker. -Xassembler <arg> Pass <arg> on to the assembler. -Xpreprocessor <arg> Pass <arg> on to the preprocessor. -Xlinker <arg> Pass <arg> on to the linker. -save-temps Do not delete intermediate files. -save-temps=<arg> Do not delete intermediate files.
test-bot (macos-15)
install failed
`brew install --verbose --formula --build-bottle grimme-lab/qc/crest` failed on macOS Sonoma (14) on Apple Silicon!: Formula/crest.rb#L29
meson.build:17:0: ERROR: Unable to detect linker for compiler `/opt/homebrew/bin/gfortran -Wl,--version -static` stdout: stderr: collect2 version 14.2.0 /opt/homebrew/Library/Homebrew/shims/mac/super/ld -demangle -syslibroot /Library/Developer/CommandLineTools/SDKs/MacOSX14.sdk/ -static -arch arm64 -platform_version macos 14.0.0 0.0 -o a.out -lcrt0.o -L/opt/homebrew/Cellar/gcc/14.2.0_1/bin/../lib/gcc/current/gcc/aarch64-apple-darwin23/14 -L/opt/homebrew/Cellar/gcc/14.2.0_1/bin/../lib/gcc/current/gcc -L/opt/homebrew/Cellar/gcc/14.2.0_1/bin/../lib/gcc/current/gcc/aarch64-apple-darwin23/14/../../.. -lemutls_w -lheapt_w --version -lgcc -no_compact_unwind -rpath @loader_path -rpath /opt/homebrew/Cellar/gcc/14.2.0_1/lib/gcc/current/gcc/aarch64-apple-darwin23/14 -rpath /opt/homebrew/Cellar/gcc/14.2.0_1/lib/gcc/current/gcc -rpath /opt/homebrew/Cellar/gcc/14.2.0_1/lib/gcc/current ld: library not found for -lcrt0.o collect2: error: ld returned 1 exit status A full log can be found at /private/tmp/crest-20241121-12144-pq74ts/crest-3.0.2/_build/meson-logs/meson-log.txt ::group::==== CI platform detected, click here for meson-log.txt contents. ==== Build started at 2024-11-21T11:30:27.606432 Main binary: /opt/homebrew/opt/[email protected]/bin/python3.13 Build Options: -Dla_backend=openblas -Dprefix=/opt/homebrew/Cellar/crest/3.0.2 -Dlibdir=/opt/homebrew/Cellar/crest/3.0.2/lib -Dbuildtype=release -Dwrap_mode=nofallback Python system: Darwin The Meson build system Version: 1.6.0 Source dir: /private/tmp/crest-20241121-12144-pq74ts/crest-3.0.2 Build dir: /private/tmp/crest-20241121-12144-pq74ts/crest-3.0.2/_build Build type: native build Project name: crest Project version: 3.0.2 ----------- Detecting compiler via: `/opt/homebrew/bin/gfortran --help` -> 0 stdout: Usage: gfortran [options] file... Options: -pass-exit-codes Exit with highest error code from a phase. --help Display this information. --target-help Display target specific command line options (including assembler and linker options). --help={common|optimizers|params|target|warnings|[^]{joined|separate|undocumented}}[,...]. Display specific types of command line options. (Use '-v --help' to display command line options of sub-processes). --version Display compiler version information. -dumpspecs Display all of the built in spec strings. -dumpversion Display the version of the compiler. -dumpmachine Display the compiler's target processor. -foffload=<targets> Specify offloading targets. -print-search-dirs Display the directories in the compiler's search path. -print-libgcc-file-name Display the name of the compiler's companion library. -print-file-name=<lib> Display the full path to library <lib>. -print-prog-name=<prog> Display the full path to compiler component <prog>. -print-multiarch Display the target's normalized GNU triplet, used as a component in the library path. -print-multi-directory Display the root directory for versions of libgcc. -print-multi-lib Display the mapping between command line options and multiple library search directories. -print-multi-os-directory Display the relative path to OS libraries. -print-sysroot Display the target libraries directory. -print-sysroot-headers-suffix Display the sysroot suffix used to find headers. -Wa,<options> Pass comma-separated <options> on to the assembler. -Wp,<options> Pass comma-separated <options> on to the preprocessor. -Wl,<options> Pass comma-separated <options> on to the linker. -Xassembler <arg> Pass <arg> on to the assembler. -Xpreprocessor <arg> Pass <arg> on to the preprocessor. -Xlinker <arg> Pass <arg> on to the linker. -save-temps Do not delete intermediate files. -save-temps=<arg> Do not delete intermediate files.
test-bot (macos-14)
install failed
test-bot (macos-14)
No files were found with the provided path: *.bottle.*. No artifacts will be uploaded.
test-bot (ubuntu-24.04)
No files were found with the provided path: *.bottle.*. No artifacts will be uploaded.
test-bot (ubuntu-22.04)
No files were found with the provided path: *.bottle.*. No artifacts will be uploaded.