mac+shared+fortran broken #318

loriab · 2024-01-09T23:22:22Z

No description provided.

loriab · 2024-01-10T00:27:37Z

This is more an issue + demo than a PR. It seems that the Fortran interface on Mac is broken when using a shared Libint library. Release/Debug, Intel/Silicon, and FetchContent/Add_ExternalProject don't matter. The #include catch.hpp is slightly malpositioned, but correcting this doesn't fix things. Possibly flang might be something to try for a coherent c/c++/fortran compiler stack. I don't think this can be accessed in pure libtool, as there isn't a fortran option in configure.ac . Does anyone recall whether this was working at some point?

for when the GHA logs fade away

16: [3/3] Linking CXX executable fortran_test-libint2
16/17 Test #16: libint2/fortran_test/build .......   Passed   32.16 sec
test 17
      Start 17: libint2/fortran_test/run
17: Test command: /Users/runner/work/libint/libint/build/library/libint-2.8.1/build/fortran_test-libint2
17: Working Directory: /Users/runner/work/libint/libint/build/library/libint-2.8.1/build
17: Test timeout computed to be: 10000000
17: 
Errors while running CTest
17: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Output from these tests are in: /Users/runner/work/libint/libint/build/library/libint-2.8.1/build/Testing/Temporary/LastTest.log
17: fortran_test-libint2 is a Catch v2.13.4 host application.
Use "--rerun-failed --output-on-failure" to re-run the failed cases verbosely.
17: Run with -? for options
17: 
17: -------------------------------------------------------------------------------
17: Fortran ERI
17: -------------------------------------------------------------------------------
17: /Users/runner/work/libint/libint/build/library/libint-2.8.1/fortran/test-eri.cc:547
17: ...............................................................................
17: 
17: /Users/runner/work/libint/libint/build/library/libint-2.8.1/fortran/test-eri.cc:547: FAILED:
17: due to a fatal error condition:
17:   SIGSEGV - Segmentation violation signal
17: 
17: ===============================================================================
17: test cases: 1 | 1 failed
17: assertions: 1 | 1 failed
17: 
17/17 Test #17: libint2/fortran_test/run .........***Exception: SegFault  0.14 sec
The following tests passed:
	libint2/eritest/build
	libint2/eritest/run0
	libint2/eritest/run1
	libint2/eritest/run2
	libint2/eritest/run3
	libint2/eritest/run4
	libint2/unit/build
	libint2/unit/run
	libint2/unit/sho=gaussian/run
	libint2/hf/build
	libint2/hf/run
	libint2/hf++/build
	libint2/hf++/run
	libint2/fortran_example/build
	libint2/fortran_test/build
88% tests passed, 2 tests failed out of 17
Total Test time (real) = 430.17 sec
The following tests FAILED:
	 15 - libint2/fortran_example/run (SEGFAULT)
	 17 - libint2/fortran_test/run (SEGFAULT)
FAILED: CMakeFiles/check-libint2 /Users/runner/work/libint/libint/build/library/libint-2.8.1/build/CMakeFiles/check-libint2 
cd /Users/runner/work/libint/libint/build/library/libint-2.8.1/build && /usr/local/Cellar/cmake/3.28.0/bin/ctest -V -R libint2/
ninja: build stopped: subcommand failed.
Error: Process completed with exit code 1.
16: [2/3] Building CXX object CMakeFiles/fortran_test-libint2.dir/fortran/test.cc.o
16: [3/3] Linking CXX executable fortran_test-libint2
16/17 Test #16: libint2/fortran_test/build .......   Passed   32.16 sec
test 17
      Start 17: libint2/fortran_test/run
17: Test command: /Users/runner/work/libint/libint/build/library/libint-2.8.1/build/fortran_test-libint2
17: Working Directory: /Users/runner/work/libint/libint/build/library/libint-2.8.1/build
17: Test timeout computed to be: 10000000
17: 
Errors while running CTest
17: ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Output from these tests are in: /Users/runner/work/libint/libint/build/library/libint-2.8.1/build/Testing/Temporary/LastTest.log
17: fortran_test-libint2 is a Catch v2.13.4 host application.
Use "--rerun-failed --output-on-failure" to re-run the failed cases verbosely.
17: Run with -? for options
17: 
17: -------------------------------------------------------------------------------
17: Fortran ERI
17: -------------------------------------------------------------------------------
17: /Users/runner/work/libint/libint/build/library/libint-2.8.1/fortran/test-eri.cc:547
17: ...............................................................................
17: 
17: /Users/runner/work/libint/libint/build/library/libint-2.8.1/fortran/test-eri.cc:547: FAILED:
17: due to a fatal error condition:
17:   SIGSEGV - Segmentation violation signal
17: 
17: ===============================================================================
17: test cases: 1 | 1 failed
17: assertions: 1 | 1 failed
17: 
17/17 Test #17: libint2/fortran_test/run .........***Exception: SegFault  0.14 sec
The following tests passed:
	libint2/eritest/build
	libint2/eritest/run0
	libint2/eritest/run1
	libint2/eritest/run2
	libint2/eritest/run3
	libint2/eritest/run4
	libint2/unit/build
	libint2/unit/run
	libint2/unit/sho=gaussian/run
	libint2/hf/build
	libint2/hf/run
	libint2/hf++/build
	libint2/hf++/run
	libint2/fortran_example/build
	libint2/fortran_test/build
88% tests passed, 2 tests failed out of 17
Total Test time (real) = 430.17 sec
The following tests FAILED:
	 15 - libint2/fortran_example/run (SEGFAULT)
	 17 - libint2/fortran_test/run (SEGFAULT)
FAILED: CMakeFiles/check-libint2 /Users/runner/work/libint/libint/build/library/libint-2.8.1/build/CMakeFiles/check-libint2

loriab · 2024-01-10T02:12:15Z

anyone wanting to generate ./configure on Apple Silicon, this gets past the unrecognized machine error.

diff --git a/bin/config.sub b/bin/config.sub
index a44fd8ae..32495efa 100644
--- a/bin/config.sub
+++ b/bin/config.sub
@@ -1101,6 +1101,9 @@ case $cpu-$vendor in
        x64-*)
                cpu=x86_64
                ;;
+       arm64-*)
+               cpu=arm
+               ;;
        xscale-* | xscalee[bl]-*)
                cpu=`echo "$cpu" | sed 's/^xscale/arm/'`
                ;;

loriab · 2024-01-12T16:42:52Z

The CI here reveals another error which I think comes from the release of setuptools v69. As it currently stands, LIBINT_VERSION isn't getting substituted into setup.py, so the version is '', and setuptools objects. This one I can probably fix.

lto-wrapper: warning: using serial compilation of 11 LTRANS jobs
lto-wrapper: note: see the '-flto' option documentation for more information
[100%] Built target libint2-python
[100%] Built target libint2-python
Traceback (most recent call last):
  File "/usr/share/miniconda3/envs/test/lib/python3.9/runpy.py", line 197, in _run_module_as_main
    return _run_code(code, main_globals, None,
  File "/usr/share/miniconda3/envs/test/lib/python3.9/runpy.py", line 87, in _run_code
    exec(code, run_globals)
  File "/home/runner/work/libint/libint/libint/python/setup.py", line 57, in <module>
    setup(
  File "/usr/share/miniconda3/envs/test/lib/python3.9/site-packages/setuptools/__init__.py", line 103, in setup
    return distutils.core.setup(**attrs)
  File "/usr/share/miniconda3/envs/test/lib/python3.9/site-packages/setuptools/_distutils/core.py", line 147, in setup
    _setup_distribution = dist = klass(attrs)
  File "/usr/share/miniconda3/envs/test/lib/python3.9/site-packages/setuptools/dist.py", line 314, in __init__
    self.metadata.version = self._normalize_version(self.metadata.version)
  File "/usr/share/miniconda3/envs/test/lib/python3.9/site-packages/setuptools/dist.py", line [35](https://github.com/evaleev/libint/actions/runs/7468095901/job/20323623341?pr=318#step:10:36)0, in _normalize_version
    normalized = str(Version(version))
  File "/usr/share/miniconda3/envs/test/lib/python3.9/site-packages/setuptools/_vendor/packaging/version.py", line 198, in __init__
    raise InvalidVersion(f"Invalid version: '{version}'")
setuptools.extern.packaging.version.InvalidVersion: Invalid version: ''

evaleev · 2024-03-01T15:36:30Z

@loriab this can be tossed?

loriab · 2024-03-01T15:52:16Z

@loriab this can be tossed?

The setuptools/configure on ARM side issues can be tossed (I'll change the PR name back). But as far as I know, the mac+shared+fortran is still broken (segfault from #318 (comment)). I'll rebase the branch to check.

loriab · 2024-03-01T16:54:22Z

confirmed, the mac+shared+fortran error persists.

loriab changed the title ~~mac+shared+fortran broken~~ mac+shared+fortran broken & pylibint w/setuptools v69 broken Jan 12, 2024

This was referenced Jan 12, 2024

fix CI for setuptools=69 #319

Merged

full cmake 7/N: library #317

Open

evaleev mentioned this pull request Jan 31, 2024

config.{sub,guess} are out of date #321

Closed

Update cmake.yml

fecbbb6

loriab force-pushed the loriab-patch-1 branch from 3b7f3a7 to fecbbb6 Compare March 1, 2024 16:12

loriab changed the title ~~mac+shared+fortran broken & pylibint w/setuptools v69 broken~~ mac+shared+fortran broken Mar 1, 2024

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mac+shared+fortran broken #318

mac+shared+fortran broken #318

loriab commented Jan 9, 2024

loriab commented Jan 10, 2024

loriab commented Jan 10, 2024

loriab commented Jan 12, 2024

evaleev commented Mar 1, 2024

loriab commented Mar 1, 2024

loriab commented Mar 1, 2024

mac+shared+fortran broken #318

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mac+shared+fortran broken #318

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