TDEP安装
主要基于gfortran环境
软件下载地址
暂无
安装编译
1 解压文件
unzip tdep-devel-master.zip
cd tdep-devel-master2 安装
important_settings 文件设置参考如下
#!/bin/bash
#
# Hi Dr. Hellman,
#
# Attached is my important_settings. I use Ubuntu 16.04
#
# For fortran flags, I used:
# FCFLAGS="-ffree-line-length-none -std=f2008 -fall-intrinsics -cpp -fopenmp"
#
# For gnuplot:
# GNUPLOTTERMINAL="x11"
#
# For blas and lapack:
# BLASLAPACK_LIBS="-lblas -llapack"
#
# For gfortran-6, I installed in such way:
#
# sudo add-apt-repository ppa:ubuntu-toolchain-r/test
# sudo apt-get update
# sudo apt-get install gfortran-6
#
# For openmpi:
# sudo apt-get install openmpi-bin
#
# For fftw, i'm not sure which is really working, but I installed:
# sudo apt-get install fftw-dev
# sudo apt-get install libfftw3-dev
#
# For hdf5, I installed both parallel version and serial version:
# sudo apt-get install libhdf5-mpi-dev
# sudo apt-get install libhdf5-serial-dev
#
# I think that's all I did to make it work.
# the fortran compiler
FORTRAN_COMPILER="gfortran"
# optimization stuff. Go all in.
OPTIMIZATION_LEVEL="-Ofast"
# the flag that sets the default real to a double.
DOUBLE_FLAG="-fdefault-real-8"
# The flag that tells the compiler where to put .o and .mod files.
MODULE_FLAG="-J"
# the header to put in python scripts.
PYTHONHEADER="#!/home/anaconda3/bin/python"
# Which gnuplot terminal to use by default.
#GNUPLOTTERMINAL="aqua" # nice on OSX, needs aquaterm installed and gnuplot compiled with support for it.
#GNUPLOTTERMINAL="wxt" # nice on linux.
GNUPLOTTERMINAL="wxt" # fallback that works but looks kind of bad
# Precompiler flags. Selecting default gnuplot terminal, and make the progressbars work.
PRECOMPILER_FLAGS="-DGP${GNUPLOTTERMINAL} -Dgfortranprogressbar" # for gfortran
#PRECOMPILER_FLAGS="-DGP${GNUPLOTTERMINAL} -Difortprogressbar" # for ifort
# these are the flags that are needed for gfortran
#FCFLAGS="-Wl,-commons,use_dylibs -ffree-line-length-none -std=f2008 -fall-intrinsics -cpp -fopenmp"
FCFLAGS="-ffree-line-length-none -std=f2008 -fall-intrinsics -cpp -fopenmp"
# These are the BLAS/LAPACK libraries. On OSX with gfortran, use the built-in
# where you just specify -framework accelerate and everything works. On other systems
# you might have to specify this manally
PATH_TO_BLASLAPACK_LIB="-L/usr/local/lib"
PATH_TO_BLASLAPACK_INC="-I/usr/local/include"
BLASLAPACK_LIBS="-llapack -lblas"
# For the autocorrelation code, I use fast Fourier transforms. fftw needs to be installed and
# linked. This is where homebrew installed mine on osx
PATH_TO_FFTW_LIB="-L/usr/local/fftw/lib"
PATH_TO_FFTW_INC="-I/usr/local/fftw/include"
FFTW_LIBS="-lfftw3"
# The thermal conductivity is MPI parallel. Then you need an mpi installation. This one points to
# openmpi installed by homebrew in it's default location
PATH_TO_MPI_LIB="-L/usr/local/openmpi/lib"
PATH_TO_MPI_INC="-I/usr/local/openmpi/include"
MPI_LIBS="-lmpi_mpifh -lmpi"
# I also use HDF5 every now and then
PATH_TO_HDF5_LIB="-L/usr/local/hdf5/lib"
PATH_TO_HDF5_INC="-I/usr/local/hdf5/include"
HDF5_LIBS="-lhdf5 -lhdf5_fortran"
# We also need a C-compiler
C_COMPILER="gcc"
# If you want to try and use CGAL. Not recommended for people who do not like to sort out compiler errors.
USECGAL="no"运行安装命令
bash build_things.sh3 添加环境变量
vim ~/.bashrc
export MANPATH=$MANPATH:/Users/olle/tdep-devel/man
export PATH=$PATH:/Users/olle/tdep-devel/bin
alias gnuplot='gnuplot -persist'
