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authorMassimiliano Culpo <massimiliano.culpo@gmail.com>2022-04-11 16:44:28 +0200
committerMassimiliano Culpo <massimiliano.culpo@gmail.com>2022-04-12 08:39:15 +0200
commitb7ce6a5ec17d5fea62d8c159dbccfdc502456501 (patch)
treefb0af99b0eb08452dd0fee3342681ff53a15799a /var
parent1999135cab658fea39d011b6ec82c8e09638fd0d (diff)
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openmx: remove custom phases
Diffstat (limited to 'var')
-rw-r--r--var/spack/repos/builtin/packages/openmx/package.py65
1 files changed, 39 insertions, 26 deletions
diff --git a/var/spack/repos/builtin/packages/openmx/package.py b/var/spack/repos/builtin/packages/openmx/package.py
index dfbfd0b58f..687d85c954 100644
--- a/var/spack/repos/builtin/packages/openmx/package.py
+++ b/var/spack/repos/builtin/packages/openmx/package.py
@@ -6,12 +6,13 @@
class Openmx(MakefilePackage):
"""OpenMX (Open source package for Material eXplorer) is a software
- package for nano-scale material simulations based on density functional
- theories (DFT), norm-conserving pseudopotentials, and pseudo-atomic
- localized basis functions."""
+ package for nano-scale material simulations based on density functional
+ theories (DFT), norm-conserving pseudopotentials, and pseudo-atomic
+ localized basis functions.
+ """
homepage = "http://www.openmx-square.org/index.html"
- url = "https://t-ozaki.issp.u-tokyo.ac.jp/openmx3.8.tar.gz"
+ url = "https://t-ozaki.issp.u-tokyo.ac.jp/openmx3.8.tar.gz"
version('3.8', sha256='36ee10d8b1587b25a2ca1d57f110111be65c4fb4dc820e6d93e1ed2b562634a1')
@@ -31,31 +32,33 @@ class Openmx(MakefilePackage):
parallel = False
- phases = ['edit', 'build']
+ build_directory = 'source'
def edit(self, spec, prefix):
# Move contents to source/
# http://www.openmx-square.org/bugfixed/18June12/README.txt
copy_tree('patch', 'source')
-
makefile = FileFilter('./source/makefile')
makefile.filter('^DESTDIR.*$', 'DESTDIR = {0}/bin'.format(prefix))
-
- def build(self, spec, prefix):
mkdirp(prefix.bin)
+
+ @property
+ def common_arguments(self):
+ spec, common_option = self.spec, []
+
lapack_blas_libs = spec['lapack'].libs + spec['blas'].libs
lapack_blas_headers = spec['lapack'].headers + spec['blas'].headers
-
- common_option = []
- cc_option = [spec['mpi'].mpicc,
- self.compiler.openmp_flag,
- spec['fftw'].headers.include_flags,
- ]
+ cc_option = [
+ spec['mpi'].mpicc,
+ self.compiler.openmp_flag,
+ spec['fftw'].headers.include_flags
+ ]
fc_option = [spec['mpi'].mpifc]
- lib_option = [spec['fftw'].libs.ld_flags,
- lapack_blas_libs.ld_flags,
- '-lmpi_mpifh',
- ]
+ lib_option = [
+ spec['fftw'].libs.ld_flags,
+ lapack_blas_libs.ld_flags,
+ '-lmpi_mpifh'
+ ]
if '%fj' in spec:
common_option.append('-Dkcomp -Kfast')
@@ -67,11 +70,21 @@ class Openmx(MakefilePackage):
if '%gcc' in spec:
lib_option.append('-lgfortran')
- with working_dir('source'):
- make('all',
- 'CC={0} {1} -I$(LIBERIDIR)'
- .format(' '.join(cc_option), ' '.join(common_option)),
- 'FC={0} {1}'
- .format(' '.join(fc_option), ' '.join(common_option)),
- 'LIB={0}'.format(' '.join(lib_option)),
- )
+ return [
+ 'CC={0} {1} -I$(LIBERIDIR)'.format(
+ ' '.join(cc_option), ' '.join(common_option)
+ ),
+ 'FC={0} {1}'.format(' '.join(fc_option), ' '.join(common_option)),
+ 'LIB={0}'.format(' '.join(lib_option))
+ ]
+
+ @property
+ def build_targets(self):
+ return [
+ 'openmx', 'DosMain', 'jx', 'analysis_example', 'esp', 'polB',
+ 'bandgnu13', 'bin2txt', 'cube2xsf', 'intensity_map', 'md2axsf'
+ ] + self.common_arguments
+
+ @property
+ def install_targets(self):
+ return ['all'] + self.common_arguments