##
# ABINIT recipe
# 2015 Martin Stachon <martin.stachon@vsb.cz>
##

easyblock = "ConfigureMake"

name = 'ABINIT'
version = '7.10.1'

homepage = 'http://www.abinit.org/'
description = """Abinit is a plane wave pseudopotential code for doing
 condensed phase electronic structure calculations using DFT."""

toolchain = {'name': 'goolf', 'version': '1.5.16'}

# eg. http://ftp.abinit.org/abinit-7.10.1.tar.gz
sources = [('abinit-%s.tar.gz' % (version), 'tar xfz %s')]
source_urls = ['http://ftp.abinit.org/']

# sanity_check_paths = {
#                      'files': ["bin/abinit"],
#                      'dirs': []
#                     }

moduleclass = 'chem'

configopts = '''CC=mpicc CXX=mpicxx FC=mpif90 --enable-mpi --enable-mpi-io --enable-64bit-flags --enable-optim="yes" --enable-clib="yes"''' + \
    ''' --enable-gw-dpc="yes" --enable-memory-profiling="no" --enable-openmp="no" --enable-maintainer-checks="no"''' + \
    ''' --enable-debug="no" ''' + \
    ''' --with-trio-flavor="netcdf+etsf_io+fox" --with-dft-flavor="atompaw+bigdft+libxc+wannier90"'''
