From 205c1316f3531c239166ae4fa7245d5c0d0bcf2f Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Wed, 3 May 2017 08:43:29 +0300 Subject: [PATCH] Fix python header include etc Former-commit-id: f14e9673df8781be76d86df81394aacee7f557db --- misc/dispersion-SVD.py | 7 ++++++- qpms/translations.h | 2 +- setup.py | 3 ++- 3 files changed, 9 insertions(+), 3 deletions(-) diff --git a/misc/dispersion-SVD.py b/misc/dispersion-SVD.py index 9412de0..633ab54 100755 --- a/misc/dispersion-SVD.py +++ b/misc/dispersion-SVD.py @@ -29,6 +29,7 @@ parser.add_argument('--sparse', action='store', type=int, help='Skip frequencies parser.add_argument('--eVmax', action='store', type=float, help='Skip frequencies above this value') parser.add_argument('--eVmin', action='store', type=float, help='Skip frequencies below this value') parser.add_argument('--kdensity', action='store', type=int, default=66, help='Number of k-points per x-axis segment') +parser.add_argument('--lMax', action='store', type=int, help='Override lMax from the TMatrix file') #TODO some more sophisticated x axis definitions parser.add_argument('--gaussian', action='store', type=float, metavar='σ', help='Use a gaussian envelope for weighting the interaction matrix contributions (depending on the distance), measured in unit cell lengths (?) FIxME).') popgrp=parser.add_argument_group(title='Operations') @@ -127,9 +128,13 @@ pdf = PdfPages(pdfout) # specifikace T-matice zde cdn = c/ math.sqrt(epsilon_b) -TMatrices_orig, freqs_orig, freqs_weirdunits_orig, lMax = qpms.loadScuffTMatrices(TMatrix_file) +TMatrices_orig, freqs_orig, freqs_weirdunits_orig, lMaxTM = qpms.loadScuffTMatrices(TMatrix_file) +if pargs.lMax: + lMax = pargs.lMax if pargs.lMax else lMaxTM my, ny = qpms.get_mn_y(lMax) nelem = len(my) +if pargs.lMax: #force commandline specified lMax + TMatrices_orig = TMatrices_orig[...,0:nelem,:,0:nelem] ž = np.arange(2*nelem) tž = ž // nelem diff --git a/qpms/translations.h b/qpms/translations.h index 0cf45a7..30f9a04 100644 --- a/qpms/translations.h +++ b/qpms/translations.h @@ -80,7 +80,7 @@ int qpms_trans_calculator_get_AB_arrays_ext(const qpms_trans_calculator *c, int r_ge_d, int J); #ifdef QPMS_COMPILE_PYTHON_EXTENSIONS -#include +#include #include int qpms_cython_trans_calculator_get_AB_arrays_loop( const qpms_trans_calculator *c, qpms_bessel_t J, const int resnd, diff --git a/setup.py b/setup.py index 34071b6..dc96279 100644 --- a/setup.py +++ b/setup.py @@ -27,7 +27,8 @@ qpms_c = Extension('qpms_c', '-DDISABLE_NDEBUG', # uncomment to enable assertions in the modules #'-fopenmp', ], - libraries=['gsl', 'blas', 'omp'], + libraries=['gsl', 'blas', #'omp' + ], runtime_library_dirs=os.environ['LD_LIBRARY_PATH'].split(':') if 'LD_LIBRARY_PATH' in os.environ else [] )