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Comments (8)

mdavezac avatar mdavezac commented on June 1, 2024

I'm not quite sure. I've just tried on a mac with python3.7 and did not encounter any issues.

Could try from a clean repo (git clean -xdf will remove everything but file from the repo, including ignored files), pull from source, and then post the full python setup.py install output?

Also, when compiling by hand, you do have to build make and then install make install. Or you can run from the build directory with ./locapython.sh -m IPython.

from pylada-light.

samtsevich avatar samtsevich commented on June 1, 2024

Really strange. Here is an output:

>>> python3 setup.py install
running install
running build
CMake: configuring with variables in /Users/artem.samtsevich/dev/pylada-light/build/Variables.cmake 
/usr/local/bin/cmake -C/Users/artem.samtsevich/dev/pylada-light/build/Variables.cmake /Users/artem.samtsevich/dev/pylada-light
loading initial cache file /Users/artem.samtsevich/dev/pylada-light/build/Variables.cmake
-- The C compiler identification is AppleClang 10.0.0.10001145
-- The CXX compiler identification is AppleClang 10.0.0.10001145
-- The Fortran compiler identification is Intel 18.0.1.20171018
-- Check for working C compiler: /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/cc
-- Check for working C compiler: /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++
-- Check for working CXX compiler: /Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Check for working Fortran compiler: /opt/intel/compilers_and_libraries_2018.1.126/mac/bin/intel64/ifort
-- Check for working Fortran compiler: /opt/intel/compilers_and_libraries_2018.1.126/mac/bin/intel64/ifort  -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /opt/intel/compilers_and_libraries_2018.1.126/mac/bin/intel64/ifort supports Fortran 90
-- Checking whether /opt/intel/compilers_and_libraries_2018.1.126/mac/bin/intel64/ifort supports Fortran 90 -- yes
-- Detecting Fortran/C Interface
-- Detecting Fortran/C Interface - Found GLOBAL and MODULE mangling
-- Performing Test has_std_cpp11
-- Performing Test has_std_cpp11 - Success
-- Performing Test has_std_cpp0x
-- Performing Test has_std_cpp0x - Success
-- Found Eigen3
-- Found PythonInterp: /usr/local/opt/python/bin/python3.7 (found version "3.7") 
-- Found pytest: /usr/local/lib/python3.7/site-packages (found version "3.8.0") 
-- Found nbconvert: /usr/local/lib/python3.7/site-packages/nbconvert (found version "5.4.0") 
-- Found nbformat: /usr/local/lib/python3.7/site-packages/nbformat (found version "4.4.0") 
-- Found pytest_bdd: /usr/local/lib/python3.7/site-packages/pytest_bdd (found version "2.21.0") 
-- Python module mpi4py could not be found. (missing: mpi4py_LOCATION) 
-- Found IPython: /usr/local/lib/python3.7/site-packages/IPython (found version "6.5.0") 
-- Found numpy: /usr/local/lib/python3.7/site-packages/numpy (found version "1.15.1") 
-- Found quantities: /usr/local/lib/python3.7/site-packages/quantities (found version "0.12.2") 
-- Found f90nml: /usr/local/lib/python3.7/site-packages/f90nml (found version "1.0.2") 
-- Found six: /usr/local/lib/python3.7/site-packages (found version "1.11.0") 
-- Found traitlets: /usr/local/lib/python3.7/site-packages/traitlets (found version "4.3.2") 
-- Found cython: /usr/local/lib/python3.7/site-packages (found version "0.28.5") 
-- Found NumpyLibrary: /usr/local/lib/python3.7/site-packages/numpy/core/include (found version "1.15.1") 
-- Python install path (PYTHON_PKG_DIR): /usr/local/Cellar/python/3.7.0/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-packages
-- Configuring done
-- Generating done
-- Build files have been written to: /Users/artem.samtsevich/dev/pylada-light/build
CMake: building in /Users/artem.samtsevich/dev/pylada-light/build
/usr/local/bin/cmake --build /Users/artem.samtsevich/dev/pylada-light/build
Scanning dependencies of target lookup_dependencies
[  0%] Built target lookup_dependencies
Scanning dependencies of target pylada_error
[  0%] Built target pylada_error
Scanning dependencies of target cutilities
[  2%] Building CXX object crystal/CMakeFiles/cutilities.dir/smith_normal_form.cc.o
[  5%] Building CXX object crystal/CMakeFiles/cutilities.dir/gruber.cc.o
[  8%] Building CXX object crystal/CMakeFiles/cutilities.dir/noopt.cc.o
[ 11%] Linking CXX static library libcutilities.a
[ 11%] Built target cutilities
[ 14%] Generating c/c++ source cutilities.pyx with cython ()
Scanning dependencies of target pylada.crystal.cutilities-cython
[ 17%] Building CXX object crystal/CMakeFiles/pylada.crystal.cutilities-cython.dir/cython_cutilities.cc.o
In file included from /Users/artem.samtsevich/dev/pylada-light/build/crystal/cython_cutilities.cc:581:
In file included from /usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/arrayobject.h:4:
In file included from /usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/ndarrayobject.h:18:
In file included from /usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/ndarraytypes.h:1821:
/usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: "Using
      deprecated NumPy API, disable it by "          "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION"
      [-W#warnings]
#warning "Using deprecated NumPy API, disable it by " \
 ^
1 warning generated.
[ 20%] Linking CXX shared module ../pylada/crystal/cutilities.so
[ 20%] Built target pylada.crystal.cutilities-cython
[ 22%] Generating c/c++ source _primitive.pyx with cython ()
Scanning dependencies of target pylada.crystal._primitive-cython
[ 25%] Building CXX object crystal/CMakeFiles/pylada.crystal._primitive-cython.dir/cython__primitive.cc.o
[ 28%] Linking CXX shared module ../pylada/crystal/_primitive.so
[ 28%] Built target pylada.crystal._primitive-cython
[ 31%] Generating c/c++ source _map_sites.pyx with cython ()
Scanning dependencies of target pylada.crystal._map_sites-cython
[ 34%] Building CXX object crystal/CMakeFiles/pylada.crystal._map_sites-cython.dir/cython__map_sites.cc.o
[ 37%] Linking CXX shared module ../pylada/crystal/_map_sites.so
[ 37%] Built target pylada.crystal._map_sites-cython
[ 40%] Generating c/c++ source _space_group.pyx with cython ()
Scanning dependencies of target pylada.crystal._space_group-cython
[ 42%] Building CXX object crystal/CMakeFiles/pylada.crystal._space_group-cython.dir/cython__space_group.cc.o
In file included from /Users/artem.samtsevich/dev/pylada-light/build/crystal/cython__space_group.cc:581:
In file included from /usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/arrayobject.h:4:
In file included from /usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/ndarrayobject.h:18:
In file included from /usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/ndarraytypes.h:1821:
/usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: "Using
      deprecated NumPy API, disable it by "          "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION"
      [-W#warnings]
#warning "Using deprecated NumPy API, disable it by " \
 ^
1 warning generated.
[ 45%] Linking CXX shared module ../pylada/crystal/_space_group.so
[ 45%] Built target pylada.crystal._space_group-cython
[ 48%] Generating c/c++ source _coordination_shells.pyx with cython ()
Scanning dependencies of target pylada.crystal._coordination_shells-cython
[ 51%] Building CXX object crystal/CMakeFiles/pylada.crystal._coordination_shells-cython.dir/cython__coordination_shells.cc.o
[ 54%] Linking CXX shared module ../pylada/crystal/_coordination_shells.so
[ 54%] Built target pylada.crystal._coordination_shells-cython
Scanning dependencies of target pylada.crystal
[ 54%] Built target pylada.crystal
Scanning dependencies of target third_order
[ 57%] Building CXX object crystal/defects/CMakeFiles/third_order.dir/third_order.cc.o
[ 60%] Linking CXX static library libthird_order.a
[ 60%] Built target third_order
[ 62%] Generating c/c++ source cutilities.pyx with cython ()
Scanning dependencies of target pylada.crystal.defects.cutilities-cython
[ 65%] Building CXX object crystal/defects/CMakeFiles/pylada.crystal.defects.cutilities-cython.dir/cython_cutilities.cc.o
[ 68%] Linking CXX shared module ../../pylada/crystal/defects/cutilities.so
[ 68%] Built target pylada.crystal.defects.cutilities-cython
Scanning dependencies of target pylada.crystal.defects
[ 68%] Built target pylada.crystal.defects
Scanning dependencies of target pylada.crystal.tests
[ 68%] Built target pylada.crystal.tests
Scanning dependencies of target ewaldf90
[ 71%] Building Fortran object ewald/CMakeFiles/ewaldf90.dir/ep_com.f90.o
[ 74%] Building CXX object ewald/CMakeFiles/ewaldf90.dir/erfc.cc.o
[ 77%] Building Fortran object ewald/CMakeFiles/ewaldf90.dir/ewaldf.f90.o
[ 80%] Building CXX object ewald/CMakeFiles/ewaldf90.dir/ewald.cc.o
[ 82%] Linking CXX static library libewaldf90.a
[ 82%] Built target ewaldf90
[ 85%] Generating c/c++ source ewald.pyx with cython ()
Scanning dependencies of target pylada.ewald-cython
[ 88%] Building CXX object ewald/CMakeFiles/pylada.ewald-cython.dir/cython_ewald.cc.o
[ 91%] Linking CXX shared module ../pylada/ewald.so
[ 91%] Built target pylada.ewald-cython
Scanning dependencies of target pylada
[ 91%] Built target pylada
Scanning dependencies of target pylada.physics
[ 91%] Built target pylada.physics
Scanning dependencies of target pylada.misc
[ 91%] Built target pylada.misc
Scanning dependencies of target pylada.tools
[ 91%] Built target pylada.tools
Scanning dependencies of target pylada.tools.input
[ 91%] Built target pylada.tools.input
Scanning dependencies of target pylada.tools.input.tests
[ 91%] Built target pylada.tools.input.tests
Scanning dependencies of target pylada.tools.tests
[ 91%] Built target pylada.tools.tests
Scanning dependencies of target pylada.ewald.tests
[ 91%] Built target pylada.ewald.tests
[ 94%] Generating c/c++ source _cutilities.pyx with cython ()
Scanning dependencies of target pylada.decorations._cutilities-cython
[ 97%] Building CXX object decorations/CMakeFiles/pylada.decorations._cutilities-cython.dir/cython__cutilities.cc.o
In file included from /Users/artem.samtsevich/dev/pylada-light/build/decorations/cython__cutilities.cc:581:
In file included from /usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/arrayobject.h:4:
In file included from /usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/ndarrayobject.h:18:
In file included from /usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/ndarraytypes.h:1821:
/usr/local/lib/python3.7/site-packages/numpy/core/include/numpy/npy_1_7_deprecated_api.h:15:2: warning: "Using
      deprecated NumPy API, disable it by "          "#defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION"
      [-W#warnings]
#warning "Using deprecated NumPy API, disable it by " \
 ^
1 warning generated.
[100%] Linking CXX shared module ../pylada/decorations/_cutilities.so
[100%] Built target pylada.decorations._cutilities-cython
Scanning dependencies of target pylada.decorations
[100%] Built target pylada.decorations
Scanning dependencies of target pylada.decorations.tests
[100%] Built target pylada.decorations.tests
Scanning dependencies of target pylada.config
[100%] Built target pylada.config
Scanning dependencies of target pylada.periodic_table
[100%] Built target pylada.periodic_table
Scanning dependencies of target pylada.vasp
[100%] Built target pylada.vasp
Scanning dependencies of target pylada.vasp.incar
[100%] Built target pylada.vasp.incar
Scanning dependencies of target pylada.vasp.incar.tests
[100%] Built target pylada.vasp.incar.tests
Scanning dependencies of target pylada.vasp.extract
[100%] Built target pylada.vasp.extract
Scanning dependencies of target pylada.vasp.extract.tests
[100%] Built target pylada.vasp.extract.tests
Scanning dependencies of target pylada.vasp.nlep
[100%] Built target pylada.vasp.nlep
Scanning dependencies of target pylada.vasp.tests
[100%] Built target pylada.vasp.tests
Scanning dependencies of target pylada.process
[100%] Built target pylada.process
Scanning dependencies of target pylada.jobfolder
[100%] Built target pylada.jobfolder
Scanning dependencies of target pylada.jobfolder.tests
[100%] Built target pylada.jobfolder.tests
Scanning dependencies of target pylada.ipython
[100%] Built target pylada.ipython
Scanning dependencies of target pylada.ipython.launch
[100%] Built target pylada.ipython.launch
Scanning dependencies of target pylada.ipython.tests
[100%] Built target pylada.ipython.tests
Scanning dependencies of target pylada.espresso
[100%] Built target pylada.espresso
Scanning dependencies of target pylada.espresso.tests
[100%] Built target pylada.espresso.tests
Scanning dependencies of target pylada.espresso.tests.bdd
[100%] Built target pylada.espresso.tests.bdd
Scanning dependencies of target pylada.notebooks.tests
[100%] Built target pylada.notebooks.tests
running build_py
creating build/lib.macosx-10.13-x86_64-3.7
creating build/lib.macosx-10.13-x86_64-3.7/pylada
copying build/pylada/error.py -> build/lib.macosx-10.13-x86_64-3.7/pylada
copying build/pylada/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada
copying build/pylada/record.py -> build/lib.macosx-10.13-x86_64-3.7/pylada
copying build/pylada/onexit.py -> build/lib.macosx-10.13-x86_64-3.7/pylada
creating build/lib.macosx-10.13-x86_64-3.7/pylada/physics
copying build/pylada/physics/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/physics
copying build/pylada/physics/spacegroup.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/physics
creating build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder
copying build/pylada/jobfolder/forwarding_dict.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder
copying build/pylada/jobfolder/manipulator.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder
copying build/pylada/jobfolder/massextract.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder
copying build/pylada/jobfolder/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder
copying build/pylada/jobfolder/ordered_dict.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder
copying build/pylada/jobfolder/extract.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder
copying build/pylada/jobfolder/jobfolder.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder
creating build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder/tests
copying build/pylada/jobfolder/tests/test_jobparams.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder/tests
copying build/pylada/jobfolder/tests/test_collect.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder/tests
copying build/pylada/jobfolder/tests/test_jobfolder.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder/tests
copying build/pylada/jobfolder/tests/test_forwardingdict.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder/tests
copying build/pylada/jobfolder/tests/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder/tests
copying build/pylada/jobfolder/tests/dummy.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/jobfolder/tests
creating build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/ABX.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/binary.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/make_surface.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/write.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/readCif.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/hart_forcade.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/bravais.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/A2BX4.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/iterator.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/structure.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/utilities.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/atom.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
copying build/pylada/crystal/read.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal
creating build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_structure.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_map_sites.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_primitive.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_write_gulp.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_utilities.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_cellinvariants.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_third_order.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_splitconfigs.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_cutilities.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_supercell.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_atom.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_which_site.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_coordination_shells.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_neighbors.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_space_group.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
copying build/pylada/crystal/tests/test_hart-forcade.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/tests
creating build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/defects
copying build/pylada/crystal/defects/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/crystal/defects
creating build/lib.macosx-10.13-x86_64-3.7/pylada/decorations
copying build/pylada/decorations/transforms.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations
copying build/pylada/decorations/defects.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations
copying build/pylada/decorations/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations
creating build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/test_transform.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/test_generator.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/fccsets.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/test_defects.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/test_ndimiterator.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/ternarysets.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/test_supercells.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/test_lexcompare.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/diamondsets.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/zincblendesets.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
copying build/pylada/decorations/tests/test_fciterator.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/decorations/tests
creating build/lib.macosx-10.13-x86_64-3.7/pylada/misc
copying build/pylada/misc/lockfile.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/misc
copying build/pylada/misc/relativepath.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/misc
copying build/pylada/misc/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/misc
copying build/pylada/misc/changedir.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/misc
package init file 'build/pylada/config/__init__.py' not found (or not a regular file)
creating build/lib.macosx-10.13-x86_64-3.7/pylada/config
copying build/pylada/config/espresso.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/config
copying build/pylada/config/logging.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/config
copying build/pylada/config/mpi.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/config
copying build/pylada/config/ipython.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/config
copying build/pylada/config/vasp.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/config
copying build/pylada/config/general.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/config
creating build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/goto.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/showme.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/jmol.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/export.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/listfolders.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/extension.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/record.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/magics.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/explore.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/savefolders.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
copying build/pylada/ipython/manipfolders.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython
creating build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/tests
copying build/pylada/ipython/tests/goto.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/tests
copying build/pylada/ipython/tests/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/tests
copying build/pylada/ipython/tests/explore.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/tests
copying build/pylada/ipython/tests/dummy.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/tests
creating build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/launch
copying build/pylada/ipython/launch/asone_script.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/launch
copying build/pylada/ipython/launch/array_script.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/launch
copying build/pylada/ipython/launch/single.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/launch
copying build/pylada/ipython/launch/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/launch
copying build/pylada/ipython/launch/scattered.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/launch
copying build/pylada/ipython/launch/scattered_script.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/launch
copying build/pylada/ipython/launch/interactive.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/launch
copying build/pylada/ipython/launch/array.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/launch
copying build/pylada/ipython/launch/asone.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ipython/launch
creating build/lib.macosx-10.13-x86_64-3.7/pylada/ewald
creating build/lib.macosx-10.13-x86_64-3.7/pylada/ewald/tests
copying build/pylada/ewald/tests/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ewald/tests
copying build/pylada/ewald/tests/test_ewald.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/ewald/tests
creating build/lib.macosx-10.13-x86_64-3.7/pylada/process
copying build/pylada/process/__init__.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/process
copying build/pylada/process/shared.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/process
copying build/pylada/process/mpi.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/process
copying build/pylada/process/iterator.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/process
copying build/pylada/process/program.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/process
copying build/pylada/process/process.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/process
copying build/pylada/process/call.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/process
copying build/pylada/process/pool.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/process
copying build/pylada/process/dummy.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/process
copying build/pylada/process/jobfolder.py -> build/lib.macosx-10.13-x86_64-3.7/pylada/process
error: package directory 'build/pylada/process/tests' does not exist

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samtsevich avatar samtsevich commented on June 1, 2024

Actually, I do not understand why I have wrong PYTHON_PKG_DIR?
How I can specify correct PYTHON_PKG_DIR via cmake flags?

-- Python install path (PYTHON_PKG_DIR): /usr/local/Cellar/python/3.7.0/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-packages

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mdavezac avatar mdavezac commented on June 1, 2024

I'm not sure what you mean by wrong PYTHON_PKG_DIR. When calling python setup.py install the goal is to install pylada in the most likely package location, as given by setuptools. It happens here in pylada's setup.py. It does install correctly in a virtualenv. And it should install to home if running python setup.py install --user, though I have not tried that.

When running things manually via cmake, you can specify with `cmake -DPYTHON_PKG_DIR=/installation/path/for/python packages /path/to/build/directory".

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mdavezac avatar mdavezac commented on June 1, 2024

The error seems to happen whem mpi4py cannot be found. mpi4py should be optional. I'll try and figure out what the problem is. Meanwhile, you may want to try and install mpi4py.

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ftherrien avatar ftherrien commented on June 1, 2024

I just encountered the same error. @mdavezac, you are right, it's because of mpi4py. In process/tests/CmakeLists.txt line 23:

if(tests AND mpi4py_FOUND)

If mpi4py is not found then "process/tests" is not copied to "build" and "pkg_install". Removing "AND mpi4py_FOUND" solves the issue but it is not a clean solution...

In setup.py we could do something along the lines of:

try:
    import mpi4py
    packages = ['pylada', ... , 'pylada.process', 'pylada.process.tests', 'pylada.vasp', ... ]
except ImportError:
    packages = ['pylada', ... , 'pylada.process', 'pylada.vasp', ... ]

setup( ....
    packages = packages,
    ...)

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mdavezac avatar mdavezac commented on June 1, 2024

Actually, I was thinking we should have something like that in the tests, to disable them if mpi4py is not found. That way, cmake does not need to know about mpi4py. It would be all handled on the python side.

Pytest has the right functionality for this as well.

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samtsevich avatar samtsevich commented on June 1, 2024

The error seems to happen whem mpi4py cannot be found. mpi4py should be optional. I'll try and figure out what the problem is. Meanwhile, you may want to try and install mpi4py.

Thanks!
Now it compiled properly and works fine.

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