NETCDF4 and Abipy

MULTIBINIT, aTDEP, ANADDB, optics, cut3d, mrg* postprocessors

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Gustavo Moneqz
Posts: 4
Joined: Tue Apr 02, 2019 3:46 am

NETCDF4 and Abipy

Post by Gustavo Moneqz » Fri May 24, 2019 8:51 pm

Hello, everyone, finally I have installed successfully Netcdf4 and I have made a configure.ac file to compile Abinit and include the nectdf packages.
I think everything went ok, but when I run the third tutorial I don't get any .nc output file, should I set up something else?
Thank you so much.
I have Abinit 8.10.2
netCDF 4.6.1

I had a lot of troubles installing Netcdf4, so I made some instructions in order to get it, there are in spanish but I think are very clear:

Gustavo Moneqz
Posts: 4
Joined: Tue Apr 02, 2019 3:46 am

Re: NETCDF4 and Abipy

Post by Gustavo Moneqz » Fri May 24, 2019 8:54 pm

HOW TO INSTALL ABINIT WITH NETCDF4:

1.- Haz una carpeta donde vas a instalar las librerias y todo, ponle como quieras, en este caso le puse carpetaquehiciste.

2.- Descarga las versiones MÁS ACTUALES (o que sean más o menos del mismo periodo de tiempo) de zlib, hdf5 y nctdf4, sólo untaréalas.

3.- ENTRA A LA CARPETA DE ZLIB y haz:
./configure --prefix=/home/blablabla/carpetaquehiciste
make
make install
make check

4.- ENTRA A LA CARPETA DE HDF5 y haz:
./configure --with-zlib=/home/blablabla/carpetaquehiciste --prefix=/home/blablabla/carpetaquehiciste --enable-fortran --enable-cxx
make
make install
make check

5.- CURL:
Descarga la versión contemporánea de cURL:
házlo en la carpeta que estás usando.
dale ./configure y el prefix
make
make install
make check

6.- ENTRA A LA CARPETA DE NETCDF4:
export CPPFLAGS=-I/home/blablabla/carpetaquehiciste/include/
export LDFLAGS=-L/home/blablabla/carpetaquehiciste/lib
export LD_LIBRARY_PATH=/home/blablabla/carpetaquehiciste/lib
export F77=gfortran (depende de tu puto compilador, this was with GNU)
export FC=gfortran
export CC=gcc
export CXX=g++
export CFLAGS=-fPIC
./configure --enable-netcdf4 --prefix=/home/blablabla/carpetaquehiciste --enable-dap --enable-shared
make
make install (o sudo make install)
make check

7.- Vincula netcdf con Abinit:
HACER ESTO ANTES DE INSTALAR ABINIT:
tu configure.ac en la carpeta build debe verse así:
prefix=/home/gustavo/Downloads/abinit-8.10.2
unset FC
unset CC
with_netcdf_incs="-I/home/gustavo/Downloads/ncpackages/include"
with_netcdf_libs="-L/home/gustavo/Downloads/ncpackages/lib -lnetcdf -lnetcdff"
with_trio_flavor="netcdf-fallback"
../configure --with-config-file='./configure.ac'
make mj4
make check
sudo make install

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