地域密着型エリア広告配信リクルートの地域密着型広告ドコイク?アドネットワーク Ads by ドコイク?[無料でホームページを作成] [通報・削除依頼]
[無料でホームページを作成] [通報・削除依頼]

phonopy & phono3py

------------------------------------------------------------------------------
■ Ubuntu 14.04 or later
# phonopy
sudo apt-get -y install python-dev python-numpy python-matplotlib python-yaml python-h5py

# phono3py
sudo apt-get -y install libgomp1 liblapack-dev liblapacke-dev

■ Phonopy
1) download phonopy: https://pypi.python.org/pypi/phonopy
2) download phonopy-1.11.10.40.tar.gz
3) tar zxvf phonopy-1.11.10.40.tar.gz
4) cd phonopy*
5) sudo python setup.py install

■ Phono3py
1) download phono3py: https://pypi.python.org/pypi/phono3py
2) download phono3py-1.11.11.92.tar.gz
3) tar zxvf phono3py-1.11.11.92.tar.gz
4) cd phono3py*
5) sudo python setup.py install
------------------------------------------------------------------------------
■ CentOS
yum install python
yum install numpy
yum install scipy
yum install h5py
yum install python-matplotlib
yum install python-yaml
------------------------------------------------------------------------------
■ Phonopy
1) download phonopy: http://atztogo.github.io/phonopy/
to http://atztogo.github.io/phonopy/inst...
2) sudo apt-get install python-dev python-numpy \
python-matplotlib python-yaml python-scipy
or
sudo apt-get update
sudo apt-get instll python-dev
sudo apt-get instll python-numpy
sudo apt-get instll python-matplotlib
sudo apt-get instll python-yaml
sudo apt-get instll python-scipy
sudo apt-get instll texlive
3) download phonopy-1.11.2.tar.gz
4) tar zxvf phonopy-1.11.2.tar.gz
5) cd phonopy*
6) sudo python setup.py install
or
python setup.py install --home=.
7) gedit .bashrc
export PYTHONPATH=~/phonopy-1.11.2/lib/python

■ Phono3py (Ubuntu-12.10 LST or later)
1) download phono3py: http://atztogo.github.io/phono3py/
to http://atztogo.github.io/phono3py/ins...
2) sudo apt-get install python-dev python-numpy python-matplotlib \
python-yaml python-h5py libgomp1 liblapacke-dev
3) tar zxvf phono3py-1.11.3.tar.gz
4) cd phono3py*
5) sudo python setup.py install
or
python setup3.py install --home=.
6) gedit .bashrc
export PYTHONPATH=~/phono3py-1.11.3/lib/python
or
export PYTHONPATH=$PYTHONPATH:~/phono3py-1.11.3/lib/python


■ lapacke (Ubuntu-12.04 LST or earlier case)
1) tar zxvf lapack-3.5.0.tgz
2) cd lapack-3.5.0
3) cp make.inc.example make.inc
4) make lapackelib

■ OpenBLAS (Ubuntu-12.04 LST or earlier case)
1) tar zxvf OpenBLAS*
2) cd  OpenBLAS+
3) make FC=gfortran
4) sudo make install


■ Phono3py (Ubuntu-12.04 LST or earlier case, sorry, failed)
1) download phono3py: http://atztogo.github.io/phono3py/
to http://atztogo.github.io/phono3py/ins...
2) sudo apt-get install python-dev python-numpy python-matplotlib \
python-yaml python-h5py libgomp1 liblapacke-dev
3) tar zxvf phono3py-1.11.3.tar.gz
4) cd phono3py*
5) gedit setup.py
◆  before----- line 58-
# this is when lapacke is installed on system
extra_link_args_lapacke = ['-llapacke',
                            '-llapack',
                            '-lblas']

extra_compile_args = ['-fopenmp',]
include_dirs = (['c/harmonic_h',
                 'c/anharmonic_h',
                 'c/spglib_h',
                 'c/kspclib_h'] +
                include_dirs_numpy)

 ◆ after  ----- line 58-
# this is when lapacke is installed on system
#extra_link_args_lapacke = ['-llapacke',
#                            '-llapack',
#                            '-lblas']
extra_link_args_lapacke = ['-L/opt/OpenBLAS/lib -lopenblas -lgfrotran -lpthreads -lm']

extra_compile_args = ['-fopenmp',]
include_dirs = (['c/harmonic_h',
                 'c/anharmonic_h',
                 'c/spglib_h',
                 'c/kspclib_h',
                 '/opt/OpenBLAS/include'] +
                include_dirs_numpy)
6) sudo python setup3.py install
  or
  python setup3.py install --home=.
7) gedit .bashrc
  export PYTHONPATH=~/phono3py-1.11.3/lib/python
  or
  export PYTHONPATH=$PYTHONPATH:~/phono3py-1.11.3/lib/python
------------------------------------------------------------------------------
QRコード
携帯用QRコード
アクセス数
ページビュー数