BoltzTraP2程序已經(jīng)發(fā)布��！
https://www.imc.tuwien.ac.at/for ... emistry/boltztrap2/
BoltzTraP2 is a modern implementation of the smoothed Fourier interpolation algorithm for electronic bands that formed the base of the original and widely used BoltzTraP code. One of the most typical uses of BoltzTraP is the calculation of thermoelectric transport coefficients as functions of temperature and chemical potential in the rigid-band picture. However, many other features are available, including 3D plots of Fermi surfaces based on the reconstructed bands.
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安裝好了么
今天安裝一直出現(xiàn)以下問題，有大佬指導如何處理嗎，小弟感激不盡。
Requirement already satisfied: setuptools in c:\programdata\anaconda3\lib\site-packages (from kiwisolver>=1.0.1->matplotlib->BoltzTraP2) (45.2.0.post20200210)
Building wheels for collected packages: BoltzTraP2
Building wheel for BoltzTraP2 (setup.py) ... error
ERROR: Command errored out with exit status 1:
command: 'C:\ProgramData\Anaconda3\python.exe' -u -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'C:\\Users\\123\\AppData\\Local\\Temp\\pip-install-xnkownya\\BoltzTraP2\\setup.py'"'"'; __file__='"'"'C:\\Users\\123\\AppData\\Local\\Temp\\pip-install-xnkownya\\BoltzTraP2\\setup.py'"'"';f=getattr(tokenize, '"'"'open'"'"', open)(__file__);code=f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.close();exec(compile(code, __file__, '"'"'exec'"'"'))' bdist_wheel -d 'C:\Users\123\AppData\Local\Temp\pip-wheel-8wepl933'
cwd: C:\Users\123\AppData\Local\Temp\pip-install-xnkownya\BoltzTraP2\
Complete output (25 lines):
running bdist_wheel
running build
running build_py
creating build
creating build\lib.win-amd64-3.7
creating build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\bandlib.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\dft.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\fd.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\fermisurface.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\fite.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\interface.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\io.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\misc.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\serialization.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\units.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\version.py -> build\lib.win-amd64-3.7\BoltzTraP2
copying BoltzTraP2\__init__.py -> build\lib.win-amd64-3.7\BoltzTraP2
creating build\lib.win-amd64-3.7\BoltzTraP2\sphere
copying BoltzTraP2\sphere\__init__.py -> build\lib.win-amd64-3.7\BoltzTraP2\sphere
running build_ext
running build_spglib
About to create a new build directory for spglib
About to run 'cmake' for spglib
error: [WinError 2] 系統(tǒng)找不到指定的文件。
----------------------------------------
ERROR: Failed building wheel for BoltzTraP2，
你這是缺少cmake模塊，pip install cmake
請問大哥問題解決了嘛