problem installing matminer

[Jason]

Hi I have trouble installing matminer in windows with powershell. I copy the error message here:

Failed building wheel for pymatgen

  Running setup.py clean for pymatgen

Failed to build pymatgen

mdf-forge 0.6.2 has requirement requests>=2.18.4, but you'll have requests 2.9.1 which is incompatible.

mdf-toolbox 0.2.3 has requirement requests>=2.18.4, but you'll have requests 2.9.1 which is incompatible.

mdf-toolbox 0.2.3 has requirement six>=1.11.0, but you'll have six 1.10.0 which is incompatible.

networkx 2.1 has requirement decorator>=4.1.0, but you'll have decorator 4.0.9 which is incompatible.

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 C:\Users\wusha\AppData\Local\Programs\Common\Microsoft\Visual C++ for Python\9.0\VC\Bin\amd64\link.exe /DLL /nologo /INCREMENTAL:NO /LIBPATH:c:\users\wusha\anaconda2\libs /LIBPATH:c:\users\wusha\anaconda2\PCbuild\amd64 /LIBPATH:c:\users\wusha\anaconda2\PC\VS9.0\amd64 /EXPORT:initcoord_cython build\temp.win-amd64-2.7\Release\pymatgen/util/coord_cython.obj /OUT:build\lib.win-amd64-2.7\pymatgen\util\coord_cython.pyd /IMPLIB:build\temp.win-amd64-2.7\Release\pymatgen/util\coord_cython.lib /MANIFESTFILE:build\temp.win-amd64-2.7\Release\pymatgen/util\coord_cython.pyd.manifest -Wl,--allow-multiple-definition

    LINK : warning LNK4044: unrecognized option '/Wl,--allow-multiple-definition'; ignored

    coord_cython.obj : warning LNK4197: export 'initcoord_cython' specified multiple times; using first specification

       Creating library build\temp.win-amd64-2.7\Release\pymatgen/util\coord_cython.lib and object build\temp.win-amd64-2.7\Release\pymatgen/util\coord_cython.exp

    coord_cython.obj : error LNK2019: unresolved external symbol round referenced in function __pyx_pf_8pymatgen_4util_12coord_cython_pbc_shortest_vectors

    build\lib.win-amd64-2.7\pymatgen\util\coord_cython.pyd : fatal error LNK1120: 1 unresolved externals

    error: command 'C:\\Users\\wusha\\AppData\\Local\\Programs\\Common\\Microsoft\\Visual C++ for Python\\9.0\\VC\\Bin\\amd64\\link.exe' failed with exit status 1120

    ----------------------------------------

Command "c:\users\wusha\anaconda2\python.exe -u -c "import setuptools, tokenize;__file__='c:\\users\\wusha\\appdata\\local\\temp\\pip-install-cfehym\\pymatgen\\setup.py';f=getattr(tokenize, 'open', open)(__file__);code=f.read().replace('\r\n', '\n');f.close();exec(compile(code, __file__, 'exec'))" install --record c:\users\wusha\appdata\local\temp\pip-record-iw3zkk\install-record.txt --single-version-externally-managed --compile --user --prefix=" failed with error code 1 in c:\users\wusha\appdata\local\temp\pip-install-cfehym\pymatgen\

anybody know how to solve this?

[Logan Ward]

Hello Jason,

 

The best route I’ve found for installing matminer is to first install pymatgen via the pre-compiled version available through conda.

 

The only precompiled version for Windows is for Python 3. To use it, you’ll need to create a python 3 environment via conda (I see you’re using Python 2.7) and then install pymatgen from the matsci channel.

 

If you’re unfamiliar with conda, the commands for this would be:

 

conda create --name python3 python=3.6

activate python3

conda install -c matsci pymatgen

pip install matminer

 

Every time you use matminer, you will need to first activate the “python3” environment. Additionally, you will need to install a Python 3 kernel for Jupyter if you want to use notebooks (see here).

 

Let us know if you have any more questions.

 

Best,

Logan

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