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| author | Todd Gamblin <tgamblin@llnl.gov> | 2018-11-13 11:05:17 -0600 |
|---|---|---|
| committer | Todd Gamblin <tgamblin@llnl.gov> | 2018-11-13 11:05:17 -0600 |
| commit | 42962f2409fe7b46543dc5974c45bb6392fcea99 (patch) | |
| tree | 2063188dd6902f9b6ea7e8a2601f6131ac88046d /var/spack/repos/builtin/packages/atom-dft | |
| parent | 041aa143db6964575625f1849de639541efb83a5 (diff) | |
| parent | 8554e933d2a236df20d07a6e0416ab444790bd3d (diff) | |
| download | spack-0.12.0.tar.gz spack-0.12.0.tar.bz2 spack-0.12.0.tar.xz spack-0.12.0.zip | |
Merge branch 'releases/v0.12'v0.12.0
Diffstat (limited to 'var/spack/repos/builtin/packages/atom-dft')
| -rw-r--r-- | var/spack/repos/builtin/packages/atom-dft/package.py | 32 |
1 files changed, 32 insertions, 0 deletions
diff --git a/var/spack/repos/builtin/packages/atom-dft/package.py b/var/spack/repos/builtin/packages/atom-dft/package.py new file mode 100644 index 0000000000..1c42382591 --- /dev/null +++ b/var/spack/repos/builtin/packages/atom-dft/package.py @@ -0,0 +1,32 @@ +# Copyright 2013-2018 Lawrence Livermore National Security, LLC and other +# Spack Project Developers. See the top-level COPYRIGHT file for details. +# +# SPDX-License-Identifier: (Apache-2.0 OR MIT) + +from spack import * + + +class AtomDft(MakefilePackage): + """ATOM is a program for DFT calculations in atoms and pseudopotential + generation.""" + + homepage = "https://departments.icmab.es/leem/siesta/Pseudopotentials/" + url = "https://departments.icmab.es/leem/siesta/Pseudopotentials/Code/atom-4.2.6.tgz" + + version('4.2.6', 'c0c80cf349f951601942ed6c7cb0256b') + + depends_on('libgridxc') + depends_on('xmlf90') + + def edit(self, spec, prefix): + copy('arch.make.sample', 'arch.make') + + @property + def build_targets(self): + return ['XMLF90_ROOT=%s' % self.spec['xmlf90'].prefix, + 'GRIDXC_ROOT=%s' % self.spec['libgridxc'].prefix, + 'FC=fc'] + + def install(self, spec, prefix): + mkdir(prefix.bin) + install('atm', prefix.bin) |