summaryrefslogtreecommitdiff
path: root/var/spack/repos/builtin/packages/etsf_io/package.py
diff options
context:
space:
mode:
Diffstat (limited to 'var/spack/repos/builtin/packages/etsf_io/package.py')
-rw-r--r--var/spack/repos/builtin/packages/etsf_io/package.py67
1 files changed, 67 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/etsf_io/package.py b/var/spack/repos/builtin/packages/etsf_io/package.py
new file mode 100644
index 0000000000..c1e6f2eded
--- /dev/null
+++ b/var/spack/repos/builtin/packages/etsf_io/package.py
@@ -0,0 +1,67 @@
+##############################################################################
+# Copyright (c) 2013-2016, Lawrence Livermore National Security, LLC.
+# Produced at the Lawrence Livermore National Laboratory.
+#
+# This file is part of Spack.
+# Created by Todd Gamblin, tgamblin@llnl.gov, All rights reserved.
+# LLNL-CODE-647188
+#
+# For details, see https://github.com/llnl/spack
+# Please also see the LICENSE file for our notice and the LGPL.
+#
+# This program is free software; you can redistribute it and/or modify
+# it under the terms of the GNU Lesser General Public License (as
+# published by the Free Software Foundation) version 2.1, February 1999.
+#
+# This program is distributed in the hope that it will be useful, but
+# WITHOUT ANY WARRANTY; without even the IMPLIED WARRANTY OF
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the terms and
+# conditions of the GNU Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with this program; if not, write to the Free Software
+# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
+##############################################################################
+
+from spack import *
+
+
+class EtsfIo(Package):
+ """ETSF_IO is a library implementing the Nanoquanta/ETSF file
+ format specifications.
+
+ ETSF_IO enables an architecture-independent exchange of crystallographic
+ data, electronic wavefunctions, densities and potentials, as well as
+ spectroscopic data. It is meant to be used by quantum-physical and
+ quantum-chemical applications relying upon Density Functional Theory (DFT).
+ """
+
+ homepage = "http://www.etsf.eu/resources/software/libraries_and_tools"
+ url = "https://launchpad.net/etsf-io/1.0/1.0.4/+download/etsf_io-1.0.4.tar.gz"
+
+ version('1.0.4', '32d0f7143278bd925b334c69fa425da1')
+
+ depends_on("netcdf-fortran")
+ depends_on("hdf5+mpi~cxx", when='+mpi') # required for NetCDF-4 support
+
+ def install(self, spec, prefix):
+ options = ['--prefix=%s' % prefix]
+ oapp = options.append
+
+ # Specify installation directory for Fortran module files
+ # Default is [INCLUDEDIR/FC_TYPE]
+ oapp("--with-moduledir=%s" % prefix.include)
+
+ # Netcdf4/HDF
+ hdf_libs = "-L%s -lhdf5_hl -lhdf5" % spec["hdf5"].prefix.lib
+ options.extend([
+ "--with-netcdf-incs=-I%s" % spec["netcdf-fortran"].prefix.include,
+ "--with-netcdf-libs=-L%s -lnetcdff -lnetcdf %s" % (
+ spec["netcdf-fortran"].prefix.lib, hdf_libs),
+ ])
+
+ configure(*options)
+
+ make()
+ make("check")
+ make("install")