73 lines
2.4 KiB
Python
73 lines
2.4 KiB
Python
# Copyright Spack Project Developers. See COPYRIGHT file for details.
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#
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# SPDX-License-Identifier: (Apache-2.0 OR MIT)
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from spack.package import *
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class EtsfIo(Package):
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"""ETSF_IO is a library implementing the Nanoquanta/ETSF file
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format specifications.
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ETSF_IO enables an architecture-independent exchange of crystallographic
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data, electronic wavefunctions, densities and potentials, as well as
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spectroscopic data. It is meant to be used by quantum-physical and
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quantum-chemical applications relying upon Density Functional Theory (DFT).
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"""
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homepage = "https://github.com/ElectronicStructureLibrary/libetsf_io"
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url = "https://launchpad.net/etsf-io/1.0/1.0.4/+download/etsf_io-1.0.4.tar.gz"
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license("LGPL-2.1-or-later")
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version("1.0.4", sha256="3140c2cde17f578a0e6b63acb27a5f6e9352257a1371a17b9c15c3d0ef078fa4")
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depends_on("fortran", type="build") # generated
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variant("mpi", default=True, description="Add MPI support")
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depends_on("netcdf-fortran")
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depends_on("hdf5+mpi~cxx", when="+mpi") # required for NetCDF-4 support
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depends_on("gmake", type="build")
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patch("tests_module.patch")
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patch("tests_init.patch")
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def flag_handler(self, name, flags):
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if name == "fflags":
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flags.append(self.compiler.f77_pic_flag)
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elif name == "fcflags":
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flags.append(self.compiler.fc_pic_flag)
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return flags, None, None
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def install(self, spec, prefix):
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options = ["--prefix=%s" % prefix]
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oapp = options.append
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# Specify installation directory for Fortran module files
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# Default is [INCLUDEDIR/FC_TYPE]
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oapp("--with-moduledir=%s" % prefix.include)
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# Netcdf4/HDF
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hdf_libs = "-L%s -lhdf5_hl -lhdf5" % spec["hdf5"].prefix.lib
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options.extend(
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[
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"--with-netcdf-incs=-I%s" % spec["netcdf-fortran"].prefix.include,
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"--with-netcdf-libs=-L%s -lnetcdff -lnetcdf %s"
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% (spec["netcdf-fortran"].prefix.lib, hdf_libs),
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]
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)
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configure(*options)
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make()
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make("check")
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make("install")
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def test_etsf_io_help(self):
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"""check etsf_io can execute (--help)"""
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path = self.spec["etsf-io"].prefix.bin.etsf_io
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etsfio = which(path)
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out = etsfio("--help", output=str.split, error=str.split)
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assert "Usage: etsf_io" in out
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