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MDA compilation crash with aarch64 #3374

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IAlibay opened this issue Jul 29, 2021 · 3 comments · Fixed by #3376
Closed

MDA compilation crash with aarch64 #3374

IAlibay opened this issue Jul 29, 2021 · 3 comments · Fixed by #3376

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@IAlibay
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IAlibay commented Jul 29, 2021

For some reason our latest aarch64 builds are reproducibly failing on aarch64, see: https://travis-ci.com/github/MDAnalysis/mdanalysis/jobs/526646721#L1562-L1582

Issue seems to coincide with the release of cython 0.29.24.

@tylerjereddy sorry to bug you here, are you seeing anything similar upstream?

@IAlibay
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IAlibay commented Jul 29, 2021

Looking at the logs a bit more, looks like an issue with GSD? I don't have an ARM machine on hand to test this unfortunately :(

@IAlibay
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IAlibay commented Jul 29, 2021

Remembered I had access to a ThunderX2 machine.

I can reproduce this issue:

pip install cython==0.29.24 numpy==1.19.1 scipy==1.7.0
pip install --no-build-isolation hypothesis matplotlib pytest pytest-cov pytest-xdist tqdm threadpoolctl
git clone https://github.com/MDAnalysis/mdanalysis.git
cd mdanalysis/package
python setup.py install
Details
Attempting to autodetect OpenMP support... Compiler supports OpenMP
Will attempt to use Cython.
Compiling MDAnalysis/lib/formats/libdcd.pyx because it changed.
Compiling MDAnalysis/lib/c_distances.pyx because it changed.
Compiling MDAnalysis/lib/c_distances_openmp.pyx because it changed.
Compiling MDAnalysis/lib/qcprot.pyx because it changed.
Compiling MDAnalysis/lib/formats/libmdaxdr.pyx because it changed.
Compiling MDAnalysis/lib/formats/cython_util.pyx because it changed.
Compiling MDAnalysis/analysis/encore/cutils.pyx because it changed.
Compiling MDAnalysis/analysis/encore/clustering/affinityprop.pyx because it changed.
Compiling MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.pyx because it changed.
Compiling MDAnalysis/lib/_cutil.pyx because it changed.
Compiling MDAnalysis/lib/_augment.pyx because it changed.
Compiling MDAnalysis/lib/nsgrid.pyx because it changed.
[ 1/12] Cythonizing MDAnalysis/analysis/encore/clustering/affinityprop.pyx
[ 2/12] Cythonizing MDAnalysis/analysis/encore/cutils.pyx
[ 3/12] Cythonizing MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.pyx
[ 4/12] Cythonizing MDAnalysis/lib/_augment.pyx
[ 5/12] Cythonizing MDAnalysis/lib/_cutil.pyx
[ 6/12] Cythonizing MDAnalysis/lib/c_distances.pyx
[ 7/12] Cythonizing MDAnalysis/lib/c_distances_openmp.pyx
[ 8/12] Cythonizing MDAnalysis/lib/formats/cython_util.pyx
[ 9/12] Cythonizing MDAnalysis/lib/formats/libdcd.pyx
[10/12] Cythonizing MDAnalysis/lib/formats/libmdaxdr.pyx
[11/12] Cythonizing MDAnalysis/lib/nsgrid.pyx
[12/12] Cythonizing MDAnalysis/lib/qcprot.pyx
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/dist.py:461: UserWarning: Normalizing '2.0.0-dev0' to '2.0.0.dev0'
  warnings.warn(tmpl.format(**locals()))
running install
running bdist_egg
running egg_info
creating MDAnalysis.egg-info
writing MDAnalysis.egg-info/PKG-INFO
writing dependency_links to MDAnalysis.egg-info/dependency_links.txt
writing requirements to MDAnalysis.egg-info/requires.txt
writing top-level names to MDAnalysis.egg-info/top_level.txt
writing manifest file 'MDAnalysis.egg-info/SOURCES.txt'
reading manifest file 'MDAnalysis.egg-info/SOURCES.txt'
reading manifest template 'MANIFEST.in'
warning: no previously-included files matching 'doc/html/html' found anywhere in distribution
warning: no previously-included files matching '*.pyc' found anywhere in distribution
warning: no previously-included files matching '*.pyo' found anywhere in distribution
warning: no previously-included files matching '*.pyd' found anywhere in distribution
warning: no previously-included files matching '*~' found anywhere in distribution
warning: no previously-included files matching '.git' found anywhere in distribution
writing manifest file 'MDAnalysis.egg-info/SOURCES.txt'
installing library code to build/bdist.linux-aarch64/egg
running install_lib
running build_py
creating build
creating build/lib.linux-aarch64-3.8
creating build/lib.linux-aarch64-3.8/MDAnalysis
copying MDAnalysis/authors.py -> build/lib.linux-aarch64-3.8/MDAnalysis
copying MDAnalysis/version.py -> build/lib.linux-aarch64-3.8/MDAnalysis
copying MDAnalysis/due.py -> build/lib.linux-aarch64-3.8/MDAnalysis
copying MDAnalysis/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis
copying MDAnalysis/exceptions.py -> build/lib.linux-aarch64-3.8/MDAnalysis
copying MDAnalysis/units.py -> build/lib.linux-aarch64-3.8/MDAnalysis
creating build/lib.linux-aarch64-3.8/MDAnalysis/auxiliary
copying MDAnalysis/auxiliary/core.py -> build/lib.linux-aarch64-3.8/MDAnalysis/auxiliary
copying MDAnalysis/auxiliary/XVG.py -> build/lib.linux-aarch64-3.8/MDAnalysis/auxiliary
copying MDAnalysis/auxiliary/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/auxiliary
copying MDAnalysis/auxiliary/base.py -> build/lib.linux-aarch64-3.8/MDAnalysis/auxiliary
creating build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/null.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/DMS.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/TRZ.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/chain.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/GMS.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/TXYZ.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/PQR.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/FHIAIMS.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/ParmEd.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/memory.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/GSD.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/H5MD.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/CRD.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/DCD.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/INPCRD.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/core.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/XTC.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/GRO.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/XYZ.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/TRR.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/MOL2.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/TRJ.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/chemfiles.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/NAMDBIN.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/XDR.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/PDB.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/PDBQT.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/LAMMPS.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/MMTF.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/base.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
copying MDAnalysis/coordinates/DLPoly.py -> build/lib.linux-aarch64-3.8/MDAnalysis/coordinates
creating build/lib.linux-aarch64-3.8/MDAnalysis/core
copying MDAnalysis/core/topologyobjects.py -> build/lib.linux-aarch64-3.8/MDAnalysis/core
copying MDAnalysis/core/accessors.py -> build/lib.linux-aarch64-3.8/MDAnalysis/core
copying MDAnalysis/core/universe.py -> build/lib.linux-aarch64-3.8/MDAnalysis/core
copying MDAnalysis/core/topology.py -> build/lib.linux-aarch64-3.8/MDAnalysis/core
copying MDAnalysis/core/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/core
copying MDAnalysis/core/groups.py -> build/lib.linux-aarch64-3.8/MDAnalysis/core
copying MDAnalysis/core/selection.py -> build/lib.linux-aarch64-3.8/MDAnalysis/core
copying MDAnalysis/core/_get_readers.py -> build/lib.linux-aarch64-3.8/MDAnalysis/core
copying MDAnalysis/core/topologyattrs.py -> build/lib.linux-aarch64-3.8/MDAnalysis/core
creating build/lib.linux-aarch64-3.8/MDAnalysis/tests
copying MDAnalysis/tests/datafiles.py -> build/lib.linux-aarch64-3.8/MDAnalysis/tests
copying MDAnalysis/tests/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/tests
creating build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/XYZParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/LAMMPSParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/MinimalParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/HoomdXMLParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/GMSParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/PDBParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/core.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/GROParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/DMSParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/ITPParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/FHIAIMSParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/GSDParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/guessers.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/TXYZParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/PQRParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/ParmEdParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/CRDParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/MOL2Parser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/ExtendedPDBParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/MMTFParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/PSFParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/base.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/tables.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/PDBQTParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/TOPParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/TPRParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
copying MDAnalysis/topology/DLPolyParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology
creating build/lib.linux-aarch64-3.8/MDAnalysis/selections
copying MDAnalysis/selections/pymol.py -> build/lib.linux-aarch64-3.8/MDAnalysis/selections
copying MDAnalysis/selections/charmm.py -> build/lib.linux-aarch64-3.8/MDAnalysis/selections
copying MDAnalysis/selections/jmol.py -> build/lib.linux-aarch64-3.8/MDAnalysis/selections
copying MDAnalysis/selections/vmd.py -> build/lib.linux-aarch64-3.8/MDAnalysis/selections
copying MDAnalysis/selections/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/selections
copying MDAnalysis/selections/base.py -> build/lib.linux-aarch64-3.8/MDAnalysis/selections
copying MDAnalysis/selections/gromacs.py -> build/lib.linux-aarch64-3.8/MDAnalysis/selections
creating build/lib.linux-aarch64-3.8/MDAnalysis/transformations
copying MDAnalysis/transformations/wrap.py -> build/lib.linux-aarch64-3.8/MDAnalysis/transformations
copying MDAnalysis/transformations/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/transformations
copying MDAnalysis/transformations/boxdimensions.py -> build/lib.linux-aarch64-3.8/MDAnalysis/transformations
copying MDAnalysis/transformations/positionaveraging.py -> build/lib.linux-aarch64-3.8/MDAnalysis/transformations
copying MDAnalysis/transformations/translate.py -> build/lib.linux-aarch64-3.8/MDAnalysis/transformations
copying MDAnalysis/transformations/fit.py -> build/lib.linux-aarch64-3.8/MDAnalysis/transformations
copying MDAnalysis/transformations/rotate.py -> build/lib.linux-aarch64-3.8/MDAnalysis/transformations
copying MDAnalysis/transformations/base.py -> build/lib.linux-aarch64-3.8/MDAnalysis/transformations
creating build/lib.linux-aarch64-3.8/MDAnalysis/lib
copying MDAnalysis/lib/distances.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib
copying MDAnalysis/lib/NeighborSearch.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib
copying MDAnalysis/lib/log.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib
copying MDAnalysis/lib/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib
copying MDAnalysis/lib/util.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib
copying MDAnalysis/lib/picklable_file_io.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib
copying MDAnalysis/lib/mdamath.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib
copying MDAnalysis/lib/correlations.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib
copying MDAnalysis/lib/transformations.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib
copying MDAnalysis/lib/pkdtree.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib
creating build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/distances.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/diffusionmap.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/density.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/psa.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/align.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/helix_analysis.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/gnm.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/pca.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/polymer.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/dihedrals.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/leaflet.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/lineardensity.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/contacts.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/msd.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/nuclinfo.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/rdf.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/base.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/bat.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/rms.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
copying MDAnalysis/analysis/waterdynamics.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis
creating build/lib.linux-aarch64-3.8/MDAnalysis/converters
copying MDAnalysis/converters/OpenMMParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/converters
copying MDAnalysis/converters/ParmEd.py -> build/lib.linux-aarch64-3.8/MDAnalysis/converters
copying MDAnalysis/converters/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/converters
copying MDAnalysis/converters/RDKit.py -> build/lib.linux-aarch64-3.8/MDAnalysis/converters
copying MDAnalysis/converters/OpenMM.py -> build/lib.linux-aarch64-3.8/MDAnalysis/converters
copying MDAnalysis/converters/ParmEdParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/converters
copying MDAnalysis/converters/RDKitParser.py -> build/lib.linux-aarch64-3.8/MDAnalysis/converters
creating build/lib.linux-aarch64-3.8/MDAnalysis/visualization
copying MDAnalysis/visualization/streamlines_3D.py -> build/lib.linux-aarch64-3.8/MDAnalysis/visualization
copying MDAnalysis/visualization/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/visualization
copying MDAnalysis/visualization/streamlines.py -> build/lib.linux-aarch64-3.8/MDAnalysis/visualization
creating build/lib.linux-aarch64-3.8/MDAnalysis/topology/tpr
copying MDAnalysis/topology/tpr/obj.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology/tpr
copying MDAnalysis/topology/tpr/utils.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology/tpr
copying MDAnalysis/topology/tpr/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology/tpr
copying MDAnalysis/topology/tpr/setting.py -> build/lib.linux-aarch64-3.8/MDAnalysis/topology/tpr
creating build/lib.linux-aarch64-3.8/MDAnalysis/lib/formats
copying MDAnalysis/lib/formats/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/lib/formats
creating build/lib.linux-aarch64-3.8/MDAnalysis/analysis/data
copying MDAnalysis/analysis/data/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/data
copying MDAnalysis/analysis/data/filenames.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/data
creating build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore
copying MDAnalysis/analysis/encore/confdistmatrix.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore
copying MDAnalysis/analysis/encore/utils.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore
copying MDAnalysis/analysis/encore/similarity.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore
copying MDAnalysis/analysis/encore/covariance.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore
copying MDAnalysis/analysis/encore/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore
copying MDAnalysis/analysis/encore/bootstrap.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore
creating build/lib.linux-aarch64-3.8/MDAnalysis/analysis/legacy
copying MDAnalysis/analysis/legacy/x3dna.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/legacy
copying MDAnalysis/analysis/legacy/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/legacy
creating build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hbonds
copying MDAnalysis/analysis/hbonds/hbond_autocorrel.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hbonds
copying MDAnalysis/analysis/hbonds/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hbonds
creating build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hole2
copying MDAnalysis/analysis/hole2/templates.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hole2
copying MDAnalysis/analysis/hole2/utils.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hole2
copying MDAnalysis/analysis/hole2/hole.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hole2
copying MDAnalysis/analysis/hole2/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hole2
creating build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hydrogenbonds
copying MDAnalysis/analysis/hydrogenbonds/hbond_autocorrel.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hydrogenbonds
copying MDAnalysis/analysis/hydrogenbonds/wbridge_analysis.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hydrogenbonds
copying MDAnalysis/analysis/hydrogenbonds/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hydrogenbonds
copying MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hydrogenbonds
creating build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction
copying MDAnalysis/analysis/encore/dimensionality_reduction/DimensionalityReductionMethod.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction
copying MDAnalysis/analysis/encore/dimensionality_reduction/reduce_dimensionality.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction
copying MDAnalysis/analysis/encore/dimensionality_reduction/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction
creating build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering
copying MDAnalysis/analysis/encore/clustering/ClusteringMethod.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering
copying MDAnalysis/analysis/encore/clustering/__init__.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering
copying MDAnalysis/analysis/encore/clustering/cluster.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering
copying MDAnalysis/analysis/encore/clustering/ClusterCollection.py -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering
copying MDAnalysis/analysis/data/janin_ref_data.npy -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/data
copying MDAnalysis/analysis/data/rama_ref_data.npy -> build/lib.linux-aarch64-3.8/MDAnalysis/analysis/data
running build_ext
building 'MDAnalysis.lib.formats.libdcd' extension
creating build/temp.linux-aarch64-3.8
creating build/temp.linux-aarch64-3.8/MDAnalysis
creating build/temp.linux-aarch64-3.8/MDAnalysis/lib
creating build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/formats/libdcd.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/libdcd.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/lib/formats/libdcd.c:650:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
In file included from MDAnalysis/lib/formats/libdcd.c:659:0:
MDAnalysis/lib/formats/include/readdcd.h: In function ‘read_dcdstep’:
MDAnalysis/lib/formats/include/readdcd.h:549:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
     if (readlen != (6*sizeof(int) + 3*N*sizeof(float)))
                 ^~
MDAnalysis/lib/formats/include/readdcd.h:562:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
       if (tmpbuf[i] != sizeof(float)*N) return DCD_BADFORMAT;
                     ^~
MDAnalysis/lib/formats/include/readdcd.h: In function ‘write_dcdheader’:
MDAnalysis/lib/formats/include/readdcd.h:698:14: warning: unused variable ‘tmbuf’ [-Wunused-variable]
   struct tm *tmbuf;
              ^~~~~
MDAnalysis/lib/formats/include/readdcd.h:697:10: warning: unused variable ‘cur_time’ [-Wunused-variable]
   time_t cur_time;
          ^~~~~~~~
In file included from MDAnalysis/lib/formats/include/readdcd.h:25:0,
                 from MDAnalysis/lib/formats/libdcd.c:659:
At top level:
MDAnalysis/lib/formats/include/endianswap.h:96:13: warning: ‘swap2_aligned’ defined but not used [-Wunused-function]
 static void swap2_aligned(void *v, long ndata) {
             ^~~~~~~~~~~~~
MDAnalysis/lib/formats/include/endianswap.h:32:13: warning: ‘swap2_unaligned’ defined but not used [-Wunused-function]
 static void swap2_unaligned(void *v, long ndata) {
             ^~~~~~~~~~~~~~~
In file included from MDAnalysis/lib/formats/libdcd.c:658:0:
MDAnalysis/lib/formats/include/fastio.h:453:12: warning: ‘fio_write_str’ defined but not used [-Wunused-function]
 static int fio_write_str(fio_fd fd, const char *str) {
            ^~~~~~~~~~~~~
MDAnalysis/lib/formats/include/fastio.h:449:12: warning: ‘fio_read_int32’ defined but not used [-Wunused-function]
 static int fio_read_int32(fio_fd fd, int *i) {
            ^~~~~~~~~~~~~~
gcc -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/libdcd.o -o build/lib.linux-aarch64-3.8/MDAnalysis/lib/formats/libdcd.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.lib.c_distances' extension
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/c_distances.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/c_distances.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/lib/c_distances.c:651:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
gcc -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/lib/c_distances.o -lm -o build/lib.linux-aarch64-3.8/MDAnalysis/lib/c_distances.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.lib.c_distances_openmp' extension
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -DPARALLEL -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/c_distances_openmp.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/c_distances_openmp.o -fopenmp -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/lib/c_distances_openmp.c:662:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
gcc -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/lib/c_distances_openmp.o -lm -lgomp -o build/lib.linux-aarch64-3.8/MDAnalysis/lib/c_distances_openmp.cpython-38-aarch64-linux-gnu.so -fopenmp
building 'MDAnalysis.lib.qcprot' extension
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/qcprot.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/qcprot.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/lib/qcprot.c:646:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
MDAnalysis/lib/qcprot.c: In function ‘__pyx_pf_10MDAnalysis_3lib_6qcprot_InnerProduct’:
MDAnalysis/lib/qcprot.c:2274:35: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
     for (__pyx_t_6 = 0; __pyx_t_6 < __pyx_t_5; __pyx_t_6+=1) {
                                   ^
MDAnalysis/lib/qcprot.c:2482:35: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
     for (__pyx_t_6 = 0; __pyx_t_6 < __pyx_t_5; __pyx_t_6+=1) {
                                   ^
gcc -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/lib/qcprot.o -o build/lib.linux-aarch64-3.8/MDAnalysis/lib/qcprot.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.lib._transformations' extension
creating build/temp.linux-aarch64-3.8/MDAnalysis/lib/src
creating build/temp.linux-aarch64-3.8/MDAnalysis/lib/src/transformations
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/src/transformations/transformations.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/src/transformations/transformations.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/lib/src/transformations/transformations.c:73:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
MDAnalysis/lib/src/transformations/transformations.c: In function ‘py_superimposition_matrix’:
MDAnalysis/lib/src/transformations/transformations.c:1845:0: warning: ignoring #pragma vector always [-Wunknown-pragmas]
                 #pragma vector always

MDAnalysis/lib/src/transformations/transformations.c:1962:0: warning: ignoring #pragma vector always [-Wunknown-pragmas]
                     #pragma vector always

MDAnalysis/lib/src/transformations/transformations.c:1986:0: warning: ignoring #pragma vector always [-Wunknown-pragmas]
                     #pragma vector always

MDAnalysis/lib/src/transformations/transformations.c: In function ‘axis2tuple’:
MDAnalysis/lib/src/transformations/transformations.c:2122:5: warning: ‘PyUnicode_GetSize’ is deprecated [-Wdeprecated-declarations]
     if (PyUnicode_Check(axes) && (PyUnicode_GetSize(axes) == 4)) {
     ^~
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8/Python.h:97:0,
                 from MDAnalysis/lib/src/transformations/transformations.c:68:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8/unicodeobject.h:177:43: note: declared here
 Py_DEPRECATED(3.3) PyAPI_FUNC(Py_ssize_t) PyUnicode_GetSize(
                                           ^~~~~~~~~~~~~~~~~
MDAnalysis/lib/src/transformations/transformations.c: In function ‘py_vector_norm’:
MDAnalysis/lib/src/transformations/transformations.c:3427:0: warning: ignoring #pragma vector always [-Wunknown-pragmas]
             #pragma vector always

MDAnalysis/lib/src/transformations/transformations.c:3508:0: warning: ignoring #pragma vector always [-Wunknown-pragmas]
                 #pragma vector always

MDAnalysis/lib/src/transformations/transformations.c: In function ‘py_unit_vector’:
MDAnalysis/lib/src/transformations/transformations.c:3610:0: warning: ignoring #pragma vector always [-Wunknown-pragmas]
             #pragma vector always

MDAnalysis/lib/src/transformations/transformations.c:3615:0: warning: ignoring #pragma vector always [-Wunknown-pragmas]
             #pragma vector always

MDAnalysis/lib/src/transformations/transformations.c:3679:0: warning: ignoring #pragma vector always [-Wunknown-pragmas]
                 #pragma vector always

MDAnalysis/lib/src/transformations/transformations.c:3684:0: warning: ignoring #pragma vector always [-Wunknown-pragmas]
                 #pragma vector always

At top level:
MDAnalysis/lib/src/transformations/transformations.c:910:1: warning: ‘PyConverter_DoubleVector4Copy’ defined but not used [-Wunused-function]
 PyConverter_DoubleVector4Copy(
 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
MDAnalysis/lib/src/transformations/transformations.c:804:1: warning: ‘PyConverter_DoubleArrayOrNone’ defined but not used [-Wunused-function]
 PyConverter_DoubleArrayOrNone(
 ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
MDAnalysis/lib/src/transformations/transformations.c:774:1: warning: ‘PyConverter_DoubleArray’ defined but not used [-Wunused-function]
 PyConverter_DoubleArray(
 ^~~~~~~~~~~~~~~~~~~~~~~
gcc -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/lib/src/transformations/transformations.o -lm -o build/lib.linux-aarch64-3.8/MDAnalysis/lib/_transformations.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.lib.formats.libmdaxdr' extension
creating build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -D_LARGEFILE_SOURCE -D_LARGEFILE64_SOURCE -D_FILE_OFFSET_BITS=64 -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/formats/libmdaxdr.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/libmdaxdr.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/lib/formats/libmdaxdr.c:673:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
In file included from MDAnalysis/lib/formats/libmdaxdr.c:679:0:
MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from MDAnalysis/lib/formats/libmdaxdr.c:680:0:
MDAnalysis/lib/formats/include/xdrfile_xtc.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from MDAnalysis/lib/formats/include/xdrfile_xtc.h:43:0,
                 from MDAnalysis/lib/formats/libmdaxdr.c:680:
MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from MDAnalysis/lib/formats/libmdaxdr.c:681:0:
MDAnalysis/lib/formats/include/xdrfile_trr.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -D_LARGEFILE_SOURCE -D_LARGEFILE64_SOURCE -D_FILE_OFFSET_BITS=64 -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/formats/src/xdrfile.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src/xdrfile.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from MDAnalysis/lib/formats/src/xdrfile.c:62:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

MDAnalysis/lib/formats/src/xdrfile.c: In function ‘sizeofint’:
MDAnalysis/lib/formats/src/xdrfile.c:501:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
     while (size >= num && num_of_bits < 32)
                 ^~
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘sizeofints’:
MDAnalysis/lib/formats/src/xdrfile.c:547:32: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
     while (bytes[num_of_bytes] >= num)
                                ^~
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘encodeints’:
MDAnalysis/lib/formats/src/xdrfile.c:656:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
     if (num_of_bits >= num_of_bytes * 8)
                     ^~
MDAnalysis/lib/formats/src/xdrfile.c:658:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
   for (i = 0; i < num_of_bytes; i++)
                 ^
MDAnalysis/lib/formats/src/xdrfile.c:666:17: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
   for (i = 0; i < num_of_bytes-1; i++)
                 ^
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘decodebits’:
MDAnalysis/lib/formats/src/xdrfile.c:706:16: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
   if (lastbits < num_of_bits)
                ^
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘xdrfile_decompress_coord_float’:
MDAnalysis/lib/formats/src/xdrfile.c:816:10: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  if(size3>xfp->buf1size)
          ^
MDAnalysis/lib/formats/src/xdrfile.c:868:19: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  maxidx = (LASTIDX<tmp) ? LASTIDX : tmp;
                   ^
MDAnalysis/lib/formats/src/xdrfile.c:868:35: warning: signed and unsigned type in conditional expression [-Wsign-compare]
  maxidx = (LASTIDX<tmp) ? LASTIDX : tmp;
                                   ^
MDAnalysis/lib/formats/src/xdrfile.c:794:25: warning: variable ‘larger’ set but not used [-Wunused-but-set-variable]
  int smallnum, smaller, larger, i, is_smaller, run;
                         ^~~~~~
MDAnalysis/lib/formats/src/xdrfile.c:791:16: warning: variable ‘minidx’ set but not used [-Wunused-but-set-variable]
  int smallidx, minidx, maxidx;
                ^~~~~~
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘xdrfile_compress_coord_float’:
MDAnalysis/lib/formats/src/xdrfile.c:1012:10: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  if(size3>xfp->buf1size)
          ^
MDAnalysis/lib/formats/src/xdrfile.c:1135:18: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  while (smallidx < LASTIDX && magicints[smallidx] < mindiff)
                  ^
MDAnalysis/lib/formats/src/xdrfile.c:1141:19: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  maxidx = (LASTIDX<tmp) ? LASTIDX : tmp;
                   ^
MDAnalysis/lib/formats/src/xdrfile.c:1141:35: warning: signed and unsigned type in conditional expression [-Wsign-compare]
  maxidx = (LASTIDX<tmp) ? LASTIDX : tmp;
                                   ^
MDAnalysis/lib/formats/src/xdrfile.c:1273:8: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  if(tmp==(unsigned int)buf2[0])
        ^~
MDAnalysis/lib/formats/src/xdrfile.c:1001:6: warning: variable ‘errval’ set but not used [-Wunused-but-set-variable]
  int errval=1;
      ^~~~~~
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘xdrfile_decompress_coord_double’:
MDAnalysis/lib/formats/src/xdrfile.c:1313:10: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  if(size3>xfp->buf1size)
          ^
MDAnalysis/lib/formats/src/xdrfile.c:1368:19: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  maxidx = (LASTIDX<tmp) ? LASTIDX : tmp;
                   ^
MDAnalysis/lib/formats/src/xdrfile.c:1368:35: warning: signed and unsigned type in conditional expression [-Wsign-compare]
  maxidx = (LASTIDX<tmp) ? LASTIDX : tmp;
                                   ^
MDAnalysis/lib/formats/src/xdrfile.c:1290:25: warning: variable ‘larger’ set but not used [-Wunused-but-set-variable]
  int smallnum, smaller, larger, i, is_smaller, run;
                         ^~~~~~
MDAnalysis/lib/formats/src/xdrfile.c:1287:16: warning: variable ‘minidx’ set but not used [-Wunused-but-set-variable]
  int smallidx, minidx, maxidx;
                ^~~~~~
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘xdrfile_compress_coord_double’:
MDAnalysis/lib/formats/src/xdrfile.c:1504:10: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  if(size3>xfp->buf1size) {
          ^
MDAnalysis/lib/formats/src/xdrfile.c:1619:18: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  while (smallidx < LASTIDX && magicints[smallidx] < mindiff) {
                  ^
MDAnalysis/lib/formats/src/xdrfile.c:1624:19: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  maxidx = (LASTIDX<tmp) ? LASTIDX : tmp;
                   ^
MDAnalysis/lib/formats/src/xdrfile.c:1624:35: warning: signed and unsigned type in conditional expression [-Wsign-compare]
  maxidx = (LASTIDX<tmp) ? LASTIDX : tmp;
                                   ^
MDAnalysis/lib/formats/src/xdrfile.c:1734:8: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
  if(tmp==(unsigned int)buf2[0])
        ^~
MDAnalysis/lib/formats/src/xdrfile.c:1494:6: warning: variable ‘errval’ set but not used [-Wunused-but-set-variable]
  int errval=1;
      ^~~~~~
MDAnalysis/lib/formats/src/xdrfile.c: At top level:
MDAnalysis/lib/formats/src/xdrfile.c:2535:3: warning: initialization from incompatible pointer type [-Wincompatible-pointer-types]
   xdrstdio_getpos,  /* get offset in the stream */
   ^~~~~~~~~~~~~~~
MDAnalysis/lib/formats/src/xdrfile.c:2535:3: note: (near initialization for ‘xdrstdio_ops.x_getpostn’)
MDAnalysis/lib/formats/src/xdrfile.c:2536:3: warning: initialization from incompatible pointer type [-Wincompatible-pointer-types]
   xdrstdio_setpos,  /* set offset in the stream */
   ^~~~~~~~~~~~~~~
MDAnalysis/lib/formats/src/xdrfile.c:2536:3: note: (near initialization for ‘xdrstdio_ops.x_setpostn’)
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘xdrfile_read_string’:
MDAnalysis/lib/formats/src/xdrfile.c:2361:5: warning: ‘size’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  if (size > maxsize)
     ^
MDAnalysis/lib/formats/src/xdrfile.c:2335:15: note: ‘size’ was declared here
  unsigned int size;
               ^~~~
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘xdrfile_write_string’:
MDAnalysis/lib/formats/src/xdrfile.c:2361:5: warning: ‘size’ may be used uninitialized in this function [-Wmaybe-uninitialized]
  if (size > maxsize)
     ^
MDAnalysis/lib/formats/src/xdrfile.c:2335:15: note: ‘size’ was declared here
  unsigned int size;
               ^~~~
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘xdrfile_compress_coord_float’:
MDAnalysis/lib/formats/src/xdrfile.c:1157:21: warning: ‘prevcoord[2]’ may be used uninitialized in this function [-Wmaybe-uninitialized]
    abs(thiscoord[2] - prevcoord[2]) < larger) {
        ~~~~~~~~~~~~~^~~~~~~~~~~~~~
MDAnalysis/lib/formats/src/xdrfile.c:1156:21: warning: ‘prevcoord[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized]
    abs(thiscoord[1] - prevcoord[1]) < larger &&
        ~~~~~~~~~~~~~^~~~~~~~~~~~~~
MDAnalysis/lib/formats/src/xdrfile.c:1155:21: warning: ‘prevcoord[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized]
    abs(thiscoord[0] - prevcoord[0]) < larger &&
        ~~~~~~~~~~~~~^~~~~~~~~~~~~~
MDAnalysis/lib/formats/src/xdrfile.c: In function ‘xdrfile_compress_coord_double’:
MDAnalysis/lib/formats/src/xdrfile.c:1639:21: warning: ‘prevcoord[2]’ may be used uninitialized in this function [-Wmaybe-uninitialized]
    abs(thiscoord[2] - prevcoord[2]) < larger) {
        ~~~~~~~~~~~~~^~~~~~~~~~~~~~
MDAnalysis/lib/formats/src/xdrfile.c:1638:21: warning: ‘prevcoord[1]’ may be used uninitialized in this function [-Wmaybe-uninitialized]
    abs(thiscoord[1] - prevcoord[1]) < larger &&
        ~~~~~~~~~~~~~^~~~~~~~~~~~~~
MDAnalysis/lib/formats/src/xdrfile.c:1637:21: warning: ‘prevcoord[0]’ may be used uninitialized in this function [-Wmaybe-uninitialized]
    abs(thiscoord[0] - prevcoord[0]) < larger &&
        ~~~~~~~~~~~~~^~~~~~~~~~~~~~
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -D_LARGEFILE_SOURCE -D_LARGEFILE64_SOURCE -D_FILE_OFFSET_BITS=64 -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/formats/src/xdrfile_xtc.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src/xdrfile_xtc.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from MDAnalysis/lib/formats/src/xdrfile_xtc.c:30:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from MDAnalysis/lib/formats/src/xdrfile_xtc.c:31:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile_xtc.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from /lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile_xtc.h:43:0,
                 from MDAnalysis/lib/formats/src/xdrfile_xtc.c:31:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -D_LARGEFILE_SOURCE -D_LARGEFILE64_SOURCE -D_FILE_OFFSET_BITS=64 -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/formats/src/xdrfile_trr.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src/xdrfile_trr.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from MDAnalysis/lib/formats/src/xdrfile_trr.c:38:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from MDAnalysis/lib/formats/src/xdrfile_trr.c:39:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile_trr.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from /lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile_trr.h:42:0,
                 from MDAnalysis/lib/formats/src/xdrfile_trr.c:39:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

MDAnalysis/lib/formats/src/xdrfile_trr.c: In function ‘do_trnheader’:
MDAnalysis/lib/formats/src/xdrfile_trr.c:78:14: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
     if (slen != strlen(version) + 1)
              ^~
MDAnalysis/lib/formats/src/xdrfile_trr.c:86:43: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
     if (xdrfile_write_string(version, xd) != (strlen(version) + 1))
                                           ^~
MDAnalysis/lib/formats/src/xdrfile_trr.c: In function ‘write_trr’:
MDAnalysis/lib/formats/src/xdrfile_trr.c:408:10: warning: ‘plcholder’ is used uninitialized in this function [-Wuninitialized]
   return do_trn(xd, 0, &step, &t, &lambda, box, &natoms, x, v, f, plcholder);
          ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -D_LARGEFILE_SOURCE -D_LARGEFILE64_SOURCE -D_FILE_OFFSET_BITS=64 -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/formats/src/trr_seek.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src/trr_seek.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from MDAnalysis/lib/formats/src/trr_seek.c:30:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from MDAnalysis/lib/formats/src/trr_seek.c:31:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile_trr.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from /lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile_trr.h:42:0,
                 from MDAnalysis/lib/formats/src/trr_seek.c:31:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

MDAnalysis/lib/formats/src/trr_seek.c: In function ‘read_trr_n_frames’:
MDAnalysis/lib/formats/src/trr_seek.c:39:27: warning: unused variable ‘totalframebytes’ [-Wunused-variable]
   int result, framebytes, totalframebytes;
                           ^~~~~~~~~~~~~~~
MDAnalysis/lib/formats/src/trr_seek.c:38:15: warning: unused variable ‘lambda’ [-Wunused-variable]
   float time, lambda;
               ^~~~~~
MDAnalysis/lib/formats/src/trr_seek.c:38:9: warning: unused variable ‘time’ [-Wunused-variable]
   float time, lambda;
         ^~~~
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -D_LARGEFILE_SOURCE -D_LARGEFILE64_SOURCE -D_FILE_OFFSET_BITS=64 -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/formats/src/xtc_seek.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src/xtc_seek.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from MDAnalysis/lib/formats/src/xtc_seek.c:25:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from MDAnalysis/lib/formats/src/xtc_seek.c:26:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile_xtc.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

In file included from /lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile_xtc.h:43:0,
                 from MDAnalysis/lib/formats/src/xtc_seek.c:26:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/formats/include/xdrfile.h:5:2: warning: "/*" within comment [-Wcomment]
  /* -*- mode: c; tab-width: 4; indent-tabs-mode: t; c-basic-offset: 4 -*-

gcc -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/libmdaxdr.o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src/xdrfile.o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src/xdrfile_xtc.o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src/xdrfile_trr.o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src/trr_seek.o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/src/xtc_seek.o -o build/lib.linux-aarch64-3.8/MDAnalysis/lib/formats/libmdaxdr.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.lib.formats.cython_util' extension
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/formats/cython_util.c -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/cython_util.o -std=c99 -ffast-math -O3 -funroll-loops -fsigned-zeros
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/lib/formats/cython_util.c:646:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
gcc -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/lib/formats/cython_util.o -o build/lib.linux-aarch64-3.8/MDAnalysis/lib/formats/cython_util.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.analysis.encore.cutils' extension
creating build/temp.linux-aarch64-3.8/MDAnalysis/analysis
creating build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/analysis/encore/cutils.c -o build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/cutils.o -std=c99 -ffast-math -funroll-loops -fsigned-zeros -O1
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/analysis/encore/cutils.c:646:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
gcc -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/cutils.o -o build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/cutils.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.analysis.encore.clustering.affinityprop' extension
creating build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering
creating build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering/src
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/analysis/encore/clustering/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/analysis/encore/clustering/affinityprop.c -o build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering/affinityprop.o -std=c99 -ffast-math -funroll-loops -fsigned-zeros -O1
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/analysis/encore/clustering/affinityprop.c:652:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/analysis/encore/clustering/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/analysis/encore/clustering/src/ap.c -o build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering/src/ap.o -std=c99 -ffast-math -funroll-loops -fsigned-zeros -O1
cc1: warning: -fassociative-math disabled; other options take precedence
gcc -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering/affinityprop.o build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering/src/ap.o -lm -o build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/clustering/affinityprop.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.analysis.encore.dimensionality_reduction.stochasticproxembed' extension
creating build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction
creating build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction/src
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/analysis/encore/dimensionality_reduction/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.c -o build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.o -std=c99 -ffast-math -funroll-loops -fsigned-zeros -O1
cc1: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.c:652:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/analysis/encore/dimensionality_reduction/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/analysis/encore/dimensionality_reduction/src/spe.c -o build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction/src/spe.o -std=c99 -ffast-math -funroll-loops -fsigned-zeros -O1
cc1: warning: -fassociative-math disabled; other options take precedence
gcc -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.o build/temp.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction/src/spe.o -lm -o build/lib.linux-aarch64-3.8/MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.lib._cutil' extension
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/_cutil.cpp -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/_cutil.o -ffast-math -O3 -funroll-loops -fsigned-zeros -std=c++11
cc1plus: warning: command line option ‘-Wstrict-prototypes’ is valid for C/ObjC but not for C++
cc1plus: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/lib/_cutil.cpp:666:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
In file included from MDAnalysis/lib/_cutil.cpp:691:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:854:13: warning: ‘void _calc_dihedral_triclinic(float (*)[3], float (*)[3], float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_dihedral_triclinic(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:818:13: warning: ‘void _calc_dihedral_ortho(float (*)[3], float (*)[3], float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_dihedral_ortho(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:790:13: warning: ‘void _calc_dihedral(float (*)[3], float (*)[3], float (*)[3], float (*)[3], int, double*)’ defined but not used [-Wunused-function]
 static void _calc_dihedral(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:713:13: warning: ‘void _calc_angle_triclinic(float (*)[3], float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_angle_triclinic(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:670:13: warning: ‘void _calc_angle_ortho(float (*)[3], float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_angle_ortho(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:639:13: warning: ‘void _calc_angle(float (*)[3], float (*)[3], float (*)[3], int, double*)’ defined but not used [-Wunused-function]
 static void _calc_angle(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:614:13: warning: ‘void _calc_bond_distance_triclinic(float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_bond_distance_triclinic(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:589:13: warning: ‘void _calc_bond_distance_ortho(float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_bond_distance_ortho(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:570:13: warning: ‘void _calc_bond_distance(float (*)[3], float (*)[3], int, double*)’ defined but not used [-Wunused-function]
 static void _calc_bond_distance(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:515:13: warning: ‘void _calc_self_distance_array_triclinic(float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_self_distance_array_triclinic(coordinate* ref, int numref,
             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:482:13: warning: ‘void _calc_self_distance_array_ortho(float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_self_distance_array_ortho(coordinate* ref, int numref,
             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:455:13: warning: ‘void _calc_self_distance_array(float (*)[3], int, double*)’ defined but not used [-Wunused-function]
 static void _calc_self_distance_array(coordinate* ref, int numref,
             ^~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:428:13: warning: ‘void _calc_distance_array_triclinic(float (*)[3], int, float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_distance_array_triclinic(coordinate* ref, int numref,
             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:401:13: warning: ‘void _calc_distance_array_ortho(float (*)[3], int, float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_distance_array_ortho(coordinate* ref, int numref, coordinate* conf,
             ^~~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:380:13: warning: ‘void _calc_distance_array(float (*)[3], int, float (*)[3], int, double*)’ defined but not used [-Wunused-function]
 static void _calc_distance_array(coordinate* ref, int numref, coordinate* conf,
             ^~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:111:13: warning: ‘void _ortho_pbc(float (*)[3], int, float*)’ defined but not used [-Wunused-function]
 static void _ortho_pbc(coordinate* coords, int numcoords, float* box)
             ^~~~~~~~~~
g++ -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/lib/_cutil.o -lm -o build/lib.linux-aarch64-3.8/MDAnalysis/lib/_cutil.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.lib._augment' extension
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/_augment.cpp -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/_augment.o -ffast-math -O3 -funroll-loops -fsigned-zeros -std=c++11
cc1plus: warning: command line option ‘-Wstrict-prototypes’ is valid for C/ObjC but not for C++
cc1plus: warning: -fassociative-math disabled; other options take precedence
In file included from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarraytypes.h:1822:0,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/ndarrayobject.h:12,
                 from /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/arrayobject.h:4,
                 from MDAnalysis/lib/_augment.cpp:661:
/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:17:2: warning: #warning "Using deprecated NumPy API, disable it with " "#define NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp]
 #warning "Using deprecated NumPy API, disable it with " \
  ^~~~~~~
g++ -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/lib/_augment.o -o build/lib.linux-aarch64-3.8/MDAnalysis/lib/_augment.cpython-38-aarch64-linux-gnu.so
building 'MDAnalysis.lib.nsgrid' extension
gcc -pthread -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -Wl,--sysroot=/ -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -Wstrict-prototypes -fPIC -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/core/include -I/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include -I/home/ri-ialibay/software/miniconda/install/envs/test-gsd/include/python3.8 -c MDAnalysis/lib/nsgrid.cpp -o build/temp.linux-aarch64-3.8/MDAnalysis/lib/nsgrid.o -ffast-math -O3 -funroll-loops -fsigned-zeros -std=c++11
cc1plus: warning: command line option ‘-Wstrict-prototypes’ is valid for C/ObjC but not for C++
cc1plus: warning: -fassociative-math disabled; other options take precedence
In file included from MDAnalysis/lib/nsgrid.cpp:665:0:
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:854:13: warning: ‘void _calc_dihedral_triclinic(float (*)[3], float (*)[3], float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_dihedral_triclinic(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:818:13: warning: ‘void _calc_dihedral_ortho(float (*)[3], float (*)[3], float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_dihedral_ortho(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:790:13: warning: ‘void _calc_dihedral(float (*)[3], float (*)[3], float (*)[3], float (*)[3], int, double*)’ defined but not used [-Wunused-function]
 static void _calc_dihedral(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:713:13: warning: ‘void _calc_angle_triclinic(float (*)[3], float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_angle_triclinic(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:670:13: warning: ‘void _calc_angle_ortho(float (*)[3], float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_angle_ortho(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:639:13: warning: ‘void _calc_angle(float (*)[3], float (*)[3], float (*)[3], int, double*)’ defined but not used [-Wunused-function]
 static void _calc_angle(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:614:13: warning: ‘void _calc_bond_distance_triclinic(float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_bond_distance_triclinic(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:589:13: warning: ‘void _calc_bond_distance_ortho(float (*)[3], float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_bond_distance_ortho(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:570:13: warning: ‘void _calc_bond_distance(float (*)[3], float (*)[3], int, double*)’ defined but not used [-Wunused-function]
 static void _calc_bond_distance(coordinate* atom1, coordinate* atom2,
             ^~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:515:13: warning: ‘void _calc_self_distance_array_triclinic(float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_self_distance_array_triclinic(coordinate* ref, int numref,
             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:482:13: warning: ‘void _calc_self_distance_array_ortho(float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_self_distance_array_ortho(coordinate* ref, int numref,
             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:455:13: warning: ‘void _calc_self_distance_array(float (*)[3], int, double*)’ defined but not used [-Wunused-function]
 static void _calc_self_distance_array(coordinate* ref, int numref,
             ^~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:428:13: warning: ‘void _calc_distance_array_triclinic(float (*)[3], int, float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_distance_array_triclinic(coordinate* ref, int numref,
             ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:401:13: warning: ‘void _calc_distance_array_ortho(float (*)[3], int, float (*)[3], int, float*, double*)’ defined but not used [-Wunused-function]
 static void _calc_distance_array_ortho(coordinate* ref, int numref, coordinate* conf,
             ^~~~~~~~~~~~~~~~~~~~~~~~~~
/lustre/home/ri-ialibay/test-mda/mdanalysis/package/MDAnalysis/lib/include/calc_distances.h:380:13: warning: ‘void _calc_distance_array(float (*)[3], int, float (*)[3], int, double*)’ defined but not used [-Wunused-function]
 static void _calc_distance_array(coordinate* ref, int numref, coordinate* conf,
             ^~~~~~~~~~~~~~~~~~~~
g++ -pthread -shared -B /home/ri-ialibay/software/miniconda/install/envs/test-gsd/compiler_compat -L/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,-rpath=/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib -Wl,--no-as-needed -Wl,--sysroot=/ build/temp.linux-aarch64-3.8/MDAnalysis/lib/nsgrid.o -o build/lib.linux-aarch64-3.8/MDAnalysis/lib/nsgrid.cpython-38-aarch64-linux-gnu.so
creating build/bdist.linux-aarch64
creating build/bdist.linux-aarch64/egg
creating build/bdist.linux-aarch64/egg/MDAnalysis
creating build/bdist.linux-aarch64/egg/MDAnalysis/auxiliary
copying build/lib.linux-aarch64-3.8/MDAnalysis/auxiliary/core.py -> build/bdist.linux-aarch64/egg/MDAnalysis/auxiliary
copying build/lib.linux-aarch64-3.8/MDAnalysis/auxiliary/XVG.py -> build/bdist.linux-aarch64/egg/MDAnalysis/auxiliary
copying build/lib.linux-aarch64-3.8/MDAnalysis/auxiliary/__init__.py -> build/bdist.linux-aarch64/egg/MDAnalysis/auxiliary
copying build/lib.linux-aarch64-3.8/MDAnalysis/auxiliary/base.py -> build/bdist.linux-aarch64/egg/MDAnalysis/auxiliary
creating build/bdist.linux-aarch64/egg/MDAnalysis/coordinates
copying build/lib.linux-aarch64-3.8/MDAnalysis/coordinates/null.py -> build/bdist.linux-aarch64/egg/MDAnalysis/coordinates
copying build/lib.linux-aarch64-3.8/MDAnalysis/coordinates/DMS.py -> build/bdist.linux-aarch64/egg/MDAnalysis/coordinates
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copying build/lib.linux-aarch64-3.8/MDAnalysis/analysis/contacts.py -> build/bdist.linux-aarch64/egg/MDAnalysis/analysis
copying build/lib.linux-aarch64-3.8/MDAnalysis/analysis/msd.py -> build/bdist.linux-aarch64/egg/MDAnalysis/analysis
copying build/lib.linux-aarch64-3.8/MDAnalysis/analysis/nuclinfo.py -> build/bdist.linux-aarch64/egg/MDAnalysis/analysis
copying build/lib.linux-aarch64-3.8/MDAnalysis/analysis/rdf.py -> build/bdist.linux-aarch64/egg/MDAnalysis/analysis
creating build/bdist.linux-aarch64/egg/MDAnalysis/analysis/hydrogenbonds
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copying build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hydrogenbonds/wbridge_analysis.py -> build/bdist.linux-aarch64/egg/MDAnalysis/analysis/hydrogenbonds
copying build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hydrogenbonds/__init__.py -> build/bdist.linux-aarch64/egg/MDAnalysis/analysis/hydrogenbonds
copying build/lib.linux-aarch64-3.8/MDAnalysis/analysis/hydrogenbonds/hbond_analysis.py -> build/bdist.linux-aarch64/egg/MDAnalysis/analysis/hydrogenbonds
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copying build/lib.linux-aarch64-3.8/MDAnalysis/analysis/bat.py -> build/bdist.linux-aarch64/egg/MDAnalysis/analysis
copying build/lib.linux-aarch64-3.8/MDAnalysis/analysis/rms.py -> build/bdist.linux-aarch64/egg/MDAnalysis/analysis
copying build/lib.linux-aarch64-3.8/MDAnalysis/analysis/waterdynamics.py -> build/bdist.linux-aarch64/egg/MDAnalysis/analysis
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copying build/lib.linux-aarch64-3.8/MDAnalysis/converters/ParmEd.py -> build/bdist.linux-aarch64/egg/MDAnalysis/converters
copying build/lib.linux-aarch64-3.8/MDAnalysis/converters/__init__.py -> build/bdist.linux-aarch64/egg/MDAnalysis/converters
copying build/lib.linux-aarch64-3.8/MDAnalysis/converters/RDKit.py -> build/bdist.linux-aarch64/egg/MDAnalysis/converters
copying build/lib.linux-aarch64-3.8/MDAnalysis/converters/OpenMM.py -> build/bdist.linux-aarch64/egg/MDAnalysis/converters
copying build/lib.linux-aarch64-3.8/MDAnalysis/converters/ParmEdParser.py -> build/bdist.linux-aarch64/egg/MDAnalysis/converters
copying build/lib.linux-aarch64-3.8/MDAnalysis/converters/RDKitParser.py -> build/bdist.linux-aarch64/egg/MDAnalysis/converters
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copying build/lib.linux-aarch64-3.8/MDAnalysis/visualization/streamlines.py -> build/bdist.linux-aarch64/egg/MDAnalysis/visualization
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byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/topology/MinimalParser.py to MinimalParser.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/topology/HoomdXMLParser.py to HoomdXMLParser.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/topology/GMSParser.py to GMSParser.cpython-38.pyc
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byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/visualization/__init__.py to __init__.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/visualization/streamlines.py to streamlines.cpython-38.pyc
creating stub loader for MDAnalysis/lib/formats/libdcd.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/lib/c_distances.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/lib/c_distances_openmp.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/lib/qcprot.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/lib/_transformations.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/lib/formats/libmdaxdr.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/lib/formats/cython_util.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/analysis/encore/cutils.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/analysis/encore/clustering/affinityprop.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/lib/_cutil.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/lib/_augment.cpython-38-aarch64-linux-gnu.so
creating stub loader for MDAnalysis/lib/nsgrid.cpython-38-aarch64-linux-gnu.so
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/lib/formats/libdcd.py to libdcd.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/lib/c_distances.py to c_distances.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/lib/c_distances_openmp.py to c_distances_openmp.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/lib/qcprot.py to qcprot.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/lib/_transformations.py to _transformations.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/lib/formats/libmdaxdr.py to libmdaxdr.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/lib/formats/cython_util.py to cython_util.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/analysis/encore/cutils.py to cutils.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/analysis/encore/clustering/affinityprop.py to affinityprop.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/analysis/encore/dimensionality_reduction/stochasticproxembed.py to stochasticproxembed.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/lib/_cutil.py to _cutil.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/lib/_augment.py to _augment.cpython-38.pyc
byte-compiling build/bdist.linux-aarch64/egg/MDAnalysis/lib/nsgrid.py to nsgrid.cpython-38.pyc
creating build/bdist.linux-aarch64/egg/EGG-INFO
copying MDAnalysis.egg-info/PKG-INFO -> build/bdist.linux-aarch64/egg/EGG-INFO
copying MDAnalysis.egg-info/SOURCES.txt -> build/bdist.linux-aarch64/egg/EGG-INFO
copying MDAnalysis.egg-info/dependency_links.txt -> build/bdist.linux-aarch64/egg/EGG-INFO
copying MDAnalysis.egg-info/not-zip-safe -> build/bdist.linux-aarch64/egg/EGG-INFO
copying MDAnalysis.egg-info/requires.txt -> build/bdist.linux-aarch64/egg/EGG-INFO
copying MDAnalysis.egg-info/top_level.txt -> build/bdist.linux-aarch64/egg/EGG-INFO
writing build/bdist.linux-aarch64/egg/EGG-INFO/native_libs.txt
creating dist
creating 'dist/MDAnalysis-2.0.0.dev0-py3.8-linux-aarch64.egg' and adding 'build/bdist.linux-aarch64/egg' to it
removing 'build/bdist.linux-aarch64/egg' (and everything under it)
Processing MDAnalysis-2.0.0.dev0-py3.8-linux-aarch64.egg
creating /lustre/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/MDAnalysis-2.0.0.dev0-py3.8-linux-aarch64.eggExtracting MDAnalysis-2.0.0.dev0-py3.8-linux-aarch64.egg to /lustre/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages
Adding MDAnalysis 2.0.0.dev0 to easy-install.pth file

Installed /lustre/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/MDAnalysis-2.0.0.dev0-py3.8-linux-aarch64.egg
Processing dependencies for MDAnalysis==2.0.0.dev0
Searching for gsd>=1.4.0
Reading https://pypi.org/simple/gsd/
Downloading https://files.pythonhosted.org/packages/6f/85/53ac84ef5467979c58d89383e6ba4cf88729877c8e931be1d8e11cb19a2b/gsd-2.4.2.tar.gz#sha256=fa2ed62da3eb2cbfea02a22dadc1d84e80c16d874535de4bace6941c6d805851
Best match: gsd 2.4.2
Processing gsd-2.4.2.tar.gz
Writing /tmp/easy_install-3o9utvai/gsd-2.4.2/setup.cfg
Running gsd-2.4.2/setup.py -q bdist_egg --dist-dir /tmp/easy_install-3o9utvai/gsd-2.4.2/egg-dist-tmp-4nnyphc4
Compiling gsd/fl.pyx because it depends on /home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Includes/libc/string.pxd.
[1/1] Cythonizing gsd/fl.pyx
Traceback (most recent call last):
  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ParseTreeTransforms.py", line 2218, in visit_FuncDefNode
    node.body = node.body.analyse_expressions(node.local_scope)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 435, in analyse_expressions
    self.stats = [stat.analyse_expressions(env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 435, in <listcomp>
    self.stats = [stat.analyse_expressions(env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 6702, in analyse_expressions
    self.item = self.item.coerce_to(self.target.type, env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ExprNodes.py", line 952, in coerce_to    src = PyTypeTestNode(src, dst_type, env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ExprNodes.py", line 13015, in __init__
    assert dst_type.is_extension_type or dst_type.is_builtin_type, "PyTypeTest on non extension type"
AssertionError: PyTypeTest on non extension type

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 152, in save_modules
    yield saved
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 193, in setup_context
    yield
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 254, in run_setup
    _execfile(setup_script, ns)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 43, in _execfile
    exec(code, globals, locals)
  File "/tmp/easy_install-3o9utvai/gsd-2.4.2/setup.py", line 7, in <module>
    # (see the file AUTHORS for the full list of names)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Build/Dependencies.py", line 1102, in cythonize
    cythonize_one(*args)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Build/Dependencies.py", line 1208, in cythonize_one
    result = compile_single(pyx_file, options, full_module_name=full_module_name)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Main.py", line 727, in compile_single    return run_pipeline(source, options, full_module_name)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Main.py", line 515, in run_pipeline
    err, enddata = Pipeline.run_pipeline(pipeline, source)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Pipeline.py", line 355, in run_pipeline
    data = run(phase, data)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Pipeline.py", line 335, in run
    return phase(data)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ParseTreeTransforms.py", line 1598, in __call__
    return super_class.__call__(root)
  File "Cython/Compiler/Visitor.py", line 355, in Cython.Compiler.Visitor.EnvTransform.__call__
  File "Cython/Compiler/Visitor.py", line 302, in Cython.Compiler.Visitor.CythonTransform.__call__
  File "Cython/Compiler/Visitor.py", line 284, in Cython.Compiler.Visitor.VisitorTransform.__call__
  File "Cython/Compiler/Visitor.py", line 182, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ParseTreeTransforms.py", line 1608, in visit_ModuleNode
    node.analyse_declarations(self.current_env())
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ModuleNode.py", line 124, in analyse_declarations
    self.body.analyse_declarations(env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 431, in analyse_declarations
    stat.analyse_declarations(env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 431, in analyse_declarations
    stat.analyse_declarations(env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 7941, in analyse_declarations
    module_scope = env.find_module(
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Symtab.py", line 1273, in find_module    return module_scope.context.find_module(
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Main.py", line 232, in find_module
    err, result = self.process_pxd(source_desc, scope, qualified_name)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Main.py", line 146, in process_pxd
    result = Pipeline.run_pipeline(pipeline, source_desc)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Pipeline.py", line 355, in run_pipeline
    data = run(phase, data)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Pipeline.py", line 335, in run
    return phase(data)
  File "Cython/Compiler/Visitor.py", line 302, in Cython.Compiler.Visitor.CythonTransform.__call__
  File "Cython/Compiler/Visitor.py", line 284, in Cython.Compiler.Visitor.VisitorTransform.__call__
  File "Cython/Compiler/Visitor.py", line 182, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ParseTreeTransforms.py", line 2213, in visit_ModuleNode
    self.visitchildren(node)
  File "Cython/Compiler/Visitor.py", line 247, in Cython.Compiler.Visitor.VisitorTransform.visitchildren
  File "Cython/Compiler/Visitor.py", line 251, in Cython.Compiler.Visitor.VisitorTransform.visitchildren
  File "Cython/Compiler/Visitor.py", line 260, in Cython.Compiler.Visitor.VisitorTransform._process_children
  File "Cython/Compiler/Visitor.py", line 221, in Cython.Compiler.Visitor.TreeVisitor._visitchildren
  File "Cython/Compiler/Visitor.py", line 193, in Cython.Compiler.Visitor.TreeVisitor._visitchild
  File "Cython/Compiler/Visitor.py", line 182, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 312, in Cython.Compiler.Visitor.CythonTransform.visit_Node
  File "Cython/Compiler/Visitor.py", line 260, in Cython.Compiler.Visitor.VisitorTransform._process_children
  File "Cython/Compiler/Visitor.py", line 219, in Cython.Compiler.Visitor.TreeVisitor._visitchildren
  File "Cython/Compiler/Visitor.py", line 193, in Cython.Compiler.Visitor.TreeVisitor._visitchild
  File "Cython/Compiler/Visitor.py", line 182, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 312, in Cython.Compiler.Visitor.CythonTransform.visit_Node
  File "Cython/Compiler/Visitor.py", line 260, in Cython.Compiler.Visitor.VisitorTransform._process_children
  File "Cython/Compiler/Visitor.py", line 219, in Cython.Compiler.Visitor.TreeVisitor._visitchildren
  File "Cython/Compiler/Visitor.py", line 193, in Cython.Compiler.Visitor.TreeVisitor._visitchild
  File "Cython/Compiler/Visitor.py", line 188, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 148, in Cython.Compiler.Visitor.TreeVisitor._raise_compiler_error
Cython.Compiler.Errors.CompilerCrash:
Error compiling Cython file:
------------------------------------------------------------
...
    if PyDataType_HASSUBARRAY(d):
        return <tuple>d.subarray.shape
    else:
        return ()

cdef inline char* _util_dtypestring(dtype descr, char* f, char* end, int* offset) except NULL:
    ^
------------------------------------------------------------

/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/__init__.pxd:763:5: Compiler crash in AnalyseExpressionsTransform

ModuleNode.body = StatListNode(__init__.pxd:17:0)
StatListNode.stats[42] = StatListNode(__init__.pxd:763:5)
StatListNode.stats[0] = CFuncDefNode(__init__.pxd:763:5,
    args = [...]/4,
    inline_in_pxd = True,
    modifiers = [...]/1,
    visibility = 'private')

Compiler crash traceback from this point on:
  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ParseTreeTransforms.py", line 2218, in visit_FuncDefNode
    node.body = node.body.analyse_expressions(node.local_scope)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 435, in analyse_expressions
    self.stats = [stat.analyse_expressions(env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 435, in <listcomp>
    self.stats = [stat.analyse_expressions(env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 6702, in analyse_expressions
    self.item = self.item.coerce_to(self.target.type, env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ExprNodes.py", line 952, in coerce_to    src = PyTypeTestNode(src, dst_type, env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ExprNodes.py", line 13015, in __init__
    assert dst_type.is_extension_type or dst_type.is_builtin_type, "PyTypeTest on non extension type"
AssertionError: PyTypeTest on non extension type

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "setup.py", line 608, in <module>
    setup(name='MDAnalysis',
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/__init__.py", line 153, in setup
    return distutils.core.setup(**attrs)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/distutils/core.py", line 148, in setup
    dist.run_commands()
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/distutils/dist.py", line 966, in run_commands
    self.run_command(cmd)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/distutils/dist.py", line 985, in run_command
    cmd_obj.run()
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/install.py", line 67, in run
    self.do_egg_install()
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/install.py", line 117, in do_egg_install
    cmd.run(show_deprecation=False)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/easy_install.py", line 408, in run    self.easy_install(spec, not self.no_deps)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/easy_install.py", line 650, in easy_install
    return self.install_item(None, spec, tmpdir, deps, True)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/easy_install.py", line 697, in install_item
    self.process_distribution(spec, dist, deps)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/easy_install.py", line 744, in process_distribution
    distros = WorkingSet([]).resolve(
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/pkg_resources/__init__.py", line 766, in resolve
    dist = best[req.key] = env.best_match(
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/pkg_resources/__init__.py", line 1051, in best_match
    return self.obtain(req, installer)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/pkg_resources/__init__.py", line 1063, in obtain
    return installer(requirement)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/easy_install.py", line 669, in easy_install
    return self.install_item(spec, dist.location, tmpdir, deps)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/easy_install.py", line 695, in install_item
    dists = self.install_eggs(spec, download, tmpdir)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/easy_install.py", line 890, in install_eggs
    return self.build_and_install(setup_script, setup_base)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/easy_install.py", line 1162, in build_and_install
    self.run_setup(setup_script, setup_base, args)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/command/easy_install.py", line 1146, in run_setup
    run_setup(setup_script, args)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 257, in run_setup
    raise
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/contextlib.py", line 131, in __exit__
    self.gen.throw(type, value, traceback)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 193, in setup_context
    yield
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/contextlib.py", line 131, in __exit__
    self.gen.throw(type, value, traceback)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 164, in save_modules
    saved_exc.resume()
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 139, in resume
    raise exc.with_traceback(self._tb)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 152, in save_modules
    yield saved
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 193, in setup_context
    yield
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 254, in run_setup
    _execfile(setup_script, ns)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/setuptools/sandbox.py", line 43, in _execfile
    exec(code, globals, locals)
  File "/tmp/easy_install-3o9utvai/gsd-2.4.2/setup.py", line 7, in <module>
    # (see the file AUTHORS for the full list of names)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Build/Dependencies.py", line 1102, in cythonize
    cythonize_one(*args)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Build/Dependencies.py", line 1208, in cythonize_one
    result = compile_single(pyx_file, options, full_module_name=full_module_name)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Main.py", line 727, in compile_single    return run_pipeline(source, options, full_module_name)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Main.py", line 515, in run_pipeline
    err, enddata = Pipeline.run_pipeline(pipeline, source)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Pipeline.py", line 355, in run_pipeline
    data = run(phase, data)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Pipeline.py", line 335, in run
    return phase(data)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ParseTreeTransforms.py", line 1598, in __call__
    return super_class.__call__(root)
  File "Cython/Compiler/Visitor.py", line 355, in Cython.Compiler.Visitor.EnvTransform.__call__
  File "Cython/Compiler/Visitor.py", line 302, in Cython.Compiler.Visitor.CythonTransform.__call__
  File "Cython/Compiler/Visitor.py", line 284, in Cython.Compiler.Visitor.VisitorTransform.__call__
  File "Cython/Compiler/Visitor.py", line 182, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ParseTreeTransforms.py", line 1608, in visit_ModuleNode
    node.analyse_declarations(self.current_env())
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ModuleNode.py", line 124, in analyse_declarations
    self.body.analyse_declarations(env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 431, in analyse_declarations
    stat.analyse_declarations(env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 431, in analyse_declarations
    stat.analyse_declarations(env)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 7941, in analyse_declarations
    module_scope = env.find_module(
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Symtab.py", line 1273, in find_module    return module_scope.context.find_module(
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Main.py", line 232, in find_module
    err, result = self.process_pxd(source_desc, scope, qualified_name)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Main.py", line 146, in process_pxd
    result = Pipeline.run_pipeline(pipeline, source_desc)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Pipeline.py", line 355, in run_pipeline
    data = run(phase, data)
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Pipeline.py", line 335, in run
    return phase(data)
  File "Cython/Compiler/Visitor.py", line 302, in Cython.Compiler.Visitor.CythonTransform.__call__
  File "Cython/Compiler/Visitor.py", line 284, in Cython.Compiler.Visitor.VisitorTransform.__call__
  File "Cython/Compiler/Visitor.py", line 182, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ParseTreeTransforms.py", line 2213, in visit_ModuleNode
    self.visitchildren(node)
  File "Cython/Compiler/Visitor.py", line 247, in Cython.Compiler.Visitor.VisitorTransform.visitchildren
  File "Cython/Compiler/Visitor.py", line 251, in Cython.Compiler.Visitor.VisitorTransform.visitchildren
  File "Cython/Compiler/Visitor.py", line 260, in Cython.Compiler.Visitor.VisitorTransform._process_children
  File "Cython/Compiler/Visitor.py", line 221, in Cython.Compiler.Visitor.TreeVisitor._visitchildren
  File "Cython/Compiler/Visitor.py", line 193, in Cython.Compiler.Visitor.TreeVisitor._visitchild
  File "Cython/Compiler/Visitor.py", line 182, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 312, in Cython.Compiler.Visitor.CythonTransform.visit_Node
  File "Cython/Compiler/Visitor.py", line 260, in Cython.Compiler.Visitor.VisitorTransform._process_children
  File "Cython/Compiler/Visitor.py", line 219, in Cython.Compiler.Visitor.TreeVisitor._visitchildren
  File "Cython/Compiler/Visitor.py", line 193, in Cython.Compiler.Visitor.TreeVisitor._visitchild
  File "Cython/Compiler/Visitor.py", line 182, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 312, in Cython.Compiler.Visitor.CythonTransform.visit_Node
  File "Cython/Compiler/Visitor.py", line 260, in Cython.Compiler.Visitor.VisitorTransform._process_children
  File "Cython/Compiler/Visitor.py", line 219, in Cython.Compiler.Visitor.TreeVisitor._visitchildren
  File "Cython/Compiler/Visitor.py", line 193, in Cython.Compiler.Visitor.TreeVisitor._visitchild
  File "Cython/Compiler/Visitor.py", line 188, in Cython.Compiler.Visitor.TreeVisitor._visit
  File "Cython/Compiler/Visitor.py", line 148, in Cython.Compiler.Visitor.TreeVisitor._raise_compiler_error
setuptools.sandbox.UnpickleableException: CompilerCrash((<FileSourceDescriptor:/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/numpy/__init__.pxd>, 763, 5), 'AnalyseExpressionsTransform', 'Compiler crash in AnalyseExpressionsTransform\n\nModuleNode.body = StatListNode(__init__.pxd:17:0)\nStatListNode.stats[42] = StatListNode(__init__.pxd:763:5)\nStatListNode.stats[0] = CFuncDefNode(__init__.pxd:763:5,\n    args = [...]/4,\n    inline_in_pxd = True,\n    modifiers = [...]/1,\n    visibility = \'private\')\n\nCompiler crash traceback from this point on:\n  File "Cython/Compiler/Visitor.py", line 180, in Cython.Compiler.Visitor.TreeVisitor._visit\n  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ParseTreeTransforms.py", line 2218, in visit_FuncDefNode\n    node.body = node.body.analyse_expressions(node.local_scope)\n  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 435, in analyse_expressions\n    self.stats = [stat.analyse_expressions(env)\n  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 435, in <listcomp>\n    self.stats = [stat.analyse_expressions(env)\n  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/Nodes.py", line 6702, in analyse_expressions\n    self.item = self.item.coerce_to(self.target.type, env)\n  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ExprNodes.py", line 952, in coerce_to\n    src = PyTypeTestNode(src, dst_type, env)\n  File "/home/ri-ialibay/software/miniconda/install/envs/test-gsd/lib/python3.8/site-packages/Cython/Compiler/ExprNodes.py", line 13015, in __init__\n    assert dst_type.is_extension_type or dst_type.is_builtin_type, "PyTypeTest on non extension type"\nAssertionError: PyTypeTest on non extension type', AssertionError('PyTypeTest on non extension type'), <traceback object at 0x40006df21d00>)

@IAlibay
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IAlibay commented Jul 29, 2021

Appears to be fine with numpy>=1.19.2

Whilst it would be nice to hunt down for the exact cause here, given that aarch64 is somewhat experimental, I'd perfer just set the numpy lower bound to something a bit higher? (unless there are any objections)

andthum added a commit to andthum/lintf2_ether_ana_postproc that referenced this issue Jul 19, 2023
MDAnalysis < 3.0 seems to require Cython < 2.0 for compilation (see also
MDAnalysis/mdanalysis#4129 and
MDAnalysis/mdanalysis#3374).
andthum added a commit to andthum/lintf2_ether_ana_postproc that referenced this issue Jul 19, 2023
MDAnalysis < 3.0 seems to require Cython < 1.0 for compilation (see also
MDAnalysis/mdanalysis#4129 and
MDAnalysis/mdanalysis#3374).
andthum added a commit to andthum/mdtools that referenced this issue Jul 19, 2023
MDAnalysis < 3.0 seems to require Cython < 1.0 for compilation (see also
MDAnalysis/mdanalysis#4129,
cython/cython#3690 and
MDAnalysis/mdanalysis#3374).  Otherwise,
installing MDAnalysis via pip throws the following error:

``` shell
Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires NumPy >= 1.16.0, even for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/lintf2_ether_ana_postproc that referenced this issue Jul 19, 2023
MDAnalysis < 3.0 seems to require Cython < 1.0 for compilation (see also
MDAnalysis/mdanalysis#4129 and
MDAnalysis/mdanalysis#3374).
andthum added a commit to andthum/mdtools that referenced this issue Jul 20, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/lintf2_ether_ana_postproc that referenced this issue Jul 20, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/lintf2_ether_ana_postproc that referenced this issue Jul 20, 2023
Decrease the maximum allowed MDAnalysis version from `<3.0` to `<2.1`,
because higher MDAnalysis versions can cause issues during the
compilation with Cython on Python 3.7.

Perhaps somehow related to
* MDAnalysis/mdanalysis#4129
* cython/cython#3690
* MDAnalysis/mdanalysis#3374
andthum added a commit to andthum/lintf2_ether_ana_postproc that referenced this issue Jul 20, 2023
Decrease the maximum allowed MDAnalysis version from `<3.0` to `<2.1`,
because higher MDAnalysis versions causes issues during the compilation
with Cython on Python 3.7.

Perhaps somehow related to
* MDAnalysis/mdanalysis#4129
* cython/cython#3690
* MDAnalysis/mdanalysis#3374

Error code when installing MDAnalysis 2.1.0 on Python 3.7 using Cython
0.29.36:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```
andthum added a commit to andthum/transfer_Li that referenced this issue Jul 20, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/transfer_Li that referenced this issue Jul 20, 2023
Decrease the maximum allowed MDAnalysis version from `<3.0` to `<2.1`,
because higher MDAnalysis versions cause issues during the compilation
with Cython on Python 3.7.

Perhaps somehow related to
* MDAnalysis/mdanalysis#4129
* cython/cython#3690
* MDAnalysis/mdanalysis#3374

Error code when installing MDAnalysis 2.1.0 on Python 3.7 using Cython
0.29.36:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```
andthum added a commit to andthum/lintf2_ether_ana_postproc that referenced this issue Jul 24, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/lintf2_ether_ana_postproc that referenced this issue Jul 24, 2023
Decrease the maximum allowed MDAnalysis version from `<3.0` to `<2.1`,
because higher MDAnalysis versions causes issues during the compilation
with Cython on Python 3.7.

Perhaps somehow related to
* MDAnalysis/mdanalysis#4129
* cython/cython#3690
* MDAnalysis/mdanalysis#3374

Error code when installing MDAnalysis 2.1.0 on Python 3.7 using Cython
0.29.36:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-zntq4dco/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```
andthum added a commit to andthum/mdtools that referenced this issue Jul 24, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Jul 25, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Jul 26, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Jul 26, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Jul 26, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Jul 26, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Jul 26, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Jul 28, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Aug 2, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Aug 2, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Aug 2, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Aug 4, 2023
MDAnalysis `<3.0` requires Cython `<3.0` for compilation (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).  Otherwise, installing
MDAnalysis via pip throws the following error:

``` shell
Error compiling Cython file:
------------------------------------------------------------
...
    array_wrapper = ArrayWrapper()
    array_wrapper.set_data(<void*> data_ptr, <int*> &dim[0], dim.size, data_type)

    cdef np.ndarray ndarray = np.array(array_wrapper, copy=False)
    # Assign our object to the 'base' of the ndarray object
    ndarray.base = <PyObject*> array_wrapper
           ^
------------------------------------------------------------

MDAnalysis/lib/formats/cython_util.pyx:115:11: Assignment to a read-only property

Traceback (most recent call last):
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 351, in <module>
    main()
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 333, in main
    json_out['return_val'] = hook(**hook_input['kwargs'])
  File "/home/runner/.local/lib/python3.7/site-packages/pip/_vendor/pep517/in_process/_in_process.py", line 118, in get_requires_for_build_wheel
    return hook(config_settings)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 341, in get_requires_for_build_wheel
    return self._get_build_requires(config_settings, requirements=['wheel'])
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 323, in _get_build_requires
    self.run_setup()
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 488, in run_setup
    self).run_setup(setup_script=setup_script)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/setuptools/build_meta.py", line 338, in run_setup
    exec(code, locals())
  File "<string>", line 590, in <module>
  File "<string>", line 453, in extensions
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1134, in cythonize
    cythonize_one(*args)
  File "/tmp/pip-build-env-uemocs7v/overlay/lib/python3.7/site-packages/Cython/Build/Dependencies.py", line 1301, in cythonize_one
    raise CompileError(None, pyx_file)
Cython.Compiler.Errors.CompileError: MDAnalysis/lib/formats/cython_util.pyx
```

Furthermore, MDAnalysis requires at leas NumPy `>=1.16.0`, but better
Numpy `>=1.19.2` (see
MDAnalysis/mdanalysis#3374 (comment)),
for setup:

``` shell
*** package "numpy" not found ***
MDAnalysis requires a version of NumPy (>=1.16.0), even for setup.
Please get it from http://numpy.scipy.org/ or install it through your package manager.
```
andthum added a commit to andthum/mdtools that referenced this issue Jul 19, 2024
Install python-dev-tools, Cython <3.0 and numpy >=1.19.2 before
installing MDTools, because MDAnalysis requires NumPy >=1.19.2 for setup
(see also
MDAnalysis/mdanalysis#3374 (comment))
and MDAnalysis <3.0 requires Cython <3.0 (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).
andthum added a commit to andthum/lintf2_ether_ana_postproc that referenced this issue Jul 19, 2024
Install python-dev-tools, Cython <3.0 and numpy >=1.19.2 before
installing this project, because MDAnalysis requires NumPy >=1.19.2 for
setup (see also
MDAnalysis/mdanalysis#3374 (comment))
and MDAnalysis <3.0 requires Cython <3.0 (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).
andthum added a commit to andthum/lintf2_ether_ana_postproc that referenced this issue Jul 19, 2024
Install python-dev-tools, Cython <3.0 and numpy >=1.19.2 before
installing this project, because MDAnalysis requires NumPy >=1.19.2 for
setup (see also
MDAnalysis/mdanalysis#3374 (comment))
and MDAnalysis <3.0 requires Cython <3.0 (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).
andthum added a commit to andthum/transfer_Li that referenced this issue Jul 19, 2024
Install python-dev-tools, Cython <3.0 and numpy >=1.19.2 before
installing this project, because MDAnalysis requires NumPy >=1.19.2 for
setup (see also
MDAnalysis/mdanalysis#3374 (comment))
and MDAnalysis <3.0 requires Cython <3.0 (see
MDAnalysis/mdanalysis#4129 and
cython/cython#3690).
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