This reverts commit 12b0278f08.
			
			
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		 Massimiliano Culpo
					Massimiliano Culpo
				
			
				
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			| @@ -1,41 +0,0 @@ | ||||
| # Copyright 2013-2022 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 Atompaw(AutotoolsPackage): | ||||
|     """atompaw generates projector augmented wave (PAW) | ||||
|     potentials for electronics structure calculations.""" | ||||
| 
 | ||||
|     homepage = "https://users.wfu.edu/natalie/papers/pwpaw/" | ||||
|     url      = "https://users.wfu.edu/natalie/papers/pwpaw/atompaw-4.2.0.0.tar.gz" | ||||
| 
 | ||||
|     version('4.2.0.0', sha256='9ab4f4ab78a720fbcd95bbbc1403e8ff348d15570e7c694932a56be15985e93d') | ||||
|     version('4.1.1.0', sha256='b1ee2b53720066655d98523ef337e54850cb1e68b3a2da04ff5a1576d3893891') | ||||
|     version('4.1.0.6', sha256='42a46c0569367c0b971fbc3dcaf5eaec7020bdff111022b6f320de9f11c41c2c') | ||||
| 
 | ||||
|     variant('libxc', default=False, description='Compile with libxc') | ||||
|     variant('shared', default=True) | ||||
| 
 | ||||
|     depends_on('libxc', when='+libxc') | ||||
|     depends_on('blas') | ||||
| 
 | ||||
|     def configure_args(self): | ||||
|         spec = self.spec | ||||
| 
 | ||||
|         args = ['--with-linalg-prefix=' + spec['blas'].prefix] | ||||
|         args += ['--with-linalg-libs=' + ' '.join(spec['blas'].libs)] | ||||
| 
 | ||||
|         if '+libxc' in spec: | ||||
|             args += ['--enable-libxc'] | ||||
|             args += ['--with-libxc-prefix=' + spec['libxc'].prefix] | ||||
| 
 | ||||
|         if '+shared' in spec: | ||||
|             args += ['--enable-shared'] | ||||
|         else: | ||||
|             args += ['--enable-static'] | ||||
| 
 | ||||
|         return args | ||||
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