alamode:インストール
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| Both sides previous revision Previous revision Next revision | Previous revision | ||
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alamode:インストール [2021/06/15 03:32] koudai |
alamode:インストール [2021/07/12 02:03] (current) koudai [準備] |
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| Line 15: | Line 15: | ||
| < | < | ||
| + | $ cd | ||
| $ mkdir include | $ mkdir include | ||
| </ | </ | ||
| Line 50: | Line 51: | ||
| </ | </ | ||
| - | ビルド用のディレクトリを作成します | + | CMakeを実行します。以下はMKLに含まれているFFTWを使わない場合です。 |
| < | < | ||
| - | $ mkdir _build | + | $ cmake -DUSE_MKL_FFT=no -DFFTW3_ROOT=${FFTW3_ROOT} -DSPGLIB_ROOT=${SPGLIB_ROOT} \ |
| - | $ cd _build | + | -DBOOST_INCLUDE=${HOME}/ |
| + | -DCMAKE_C_COMPILER=icc -DCMAKE_CXX_COMPILER=icpc -DCMAKE_CXX_FLAGS=" | ||
| + | </ | ||
| + | |||
| + | * < | ||
| + | * < | ||
| + | |||
| + | ビルドします | ||
| < | < | ||
| + | $ make | ||
| + | </ | ||
| - | CMakeを実行します | + | bashrcの最後に以下を付け加えてパスを通しておきます |
| < | < | ||
| - | $ cmake -DUSE_MKL_FFT=yes -DSPGLIB_ROOT=${SPGLIB_ROOT} -DBOOST_INCLUDE=${HOME}/include -DEIGEN3_INCLUDE=${HOME}/ | + | $ vim ~/.bashrc |
| </ | </ | ||
| - | * <nowiki>${SPGLIB_ROOT}</nowiki>にはSpglibのパスが入ります | + | <file - .bashrc> |
| + | （略） | ||
| + | #ALAMODE | ||
| + | export PATH=$PATH:${HOME}/ | ||
| + | export PATH=$PATH: | ||
| + | export PATH=$PATH: | ||
| + | export PYTHONPATH=${HOME}/ | ||
| + | </file> | ||
| - | ビルドします | ||
| < | < | ||
| - | $ make | + | $ source ~/.bashrc |
| </ | </ | ||
alamode/インストール.1623695553.txt.gz · Last modified: 2021/06/27 22:01 (external edit)
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