From 3625ea47264c72549cf18499bc95d36163d6d997 Mon Sep 17 00:00:00 2001 From: Massimiliano Culpo Date: Thu, 12 May 2022 19:47:47 +0200 Subject: Revert "atompaw: add new package (#30619)" (#30647) This reverts commit 12b0278f08c5557c8c458fdbf4886c5f67aa40c9. --- var/spack/repos/builtin/atompaw/package.py | 41 ------------------------------ 1 file changed, 41 deletions(-) delete mode 100644 var/spack/repos/builtin/atompaw/package.py (limited to 'var') diff --git a/var/spack/repos/builtin/atompaw/package.py b/var/spack/repos/builtin/atompaw/package.py deleted file mode 100644 index d6a4024fad..0000000000 --- a/var/spack/repos/builtin/atompaw/package.py +++ /dev/null @@ -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 -- cgit v1.2.3-60-g2f50