From 78992188fd759fa1f1debcbedf230bb5b8721b04 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Tue, 21 Jun 2022 05:45:59 +0300 Subject: [PATCH 1/3] Initial version info in the C library Cmake modules taken from https://github.com/rpavlik/cmake-modules see also https://stackoverflow.com/q/1435953 --- CMakeLists.txt | 2 +- cmake/GetGitRevisionDescription.cmake | 284 +++++++++++++++++++++++ cmake/GetGitRevisionDescription.cmake.in | 43 ++++ cmake/LICENSE_1_0.txt | 23 ++ qpms/CMakeLists.txt | 10 +- qpms/__init__.py | 2 +- qpms/qpms_c.pyx | 3 + qpms/qpms_cdefs.pxd | 3 + qpms/version.c.in | 2 + qpms/version.h | 4 + 10 files changed, 373 insertions(+), 3 deletions(-) create mode 100644 cmake/GetGitRevisionDescription.cmake create mode 100644 cmake/GetGitRevisionDescription.cmake.in create mode 100644 cmake/LICENSE_1_0.txt create mode 100644 qpms/version.c.in create mode 100644 qpms/version.h diff --git a/CMakeLists.txt b/CMakeLists.txt index 7566bb8..e17a741 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -10,7 +10,7 @@ include(GNUInstallDirs) project (QPMS) - +list(APPEND CMAKE_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake/") macro(use_c99) if (CMAKE_VERSION VERSION_LESS "3.1") diff --git a/cmake/GetGitRevisionDescription.cmake b/cmake/GetGitRevisionDescription.cmake new file mode 100644 index 0000000..4fbd90d --- /dev/null +++ b/cmake/GetGitRevisionDescription.cmake @@ -0,0 +1,284 @@ +# - Returns a version string from Git +# +# These functions force a re-configure on each git commit so that you can +# trust the values of the variables in your build system. +# +# get_git_head_revision( [ALLOW_LOOKING_ABOVE_CMAKE_SOURCE_DIR]) +# +# Returns the refspec and sha hash of the current head revision +# +# git_describe( [ ...]) +# +# Returns the results of git describe on the source tree, and adjusting +# the output so that it tests false if an error occurs. +# +# git_describe_working_tree( [ ...]) +# +# Returns the results of git describe on the working tree (--dirty option), +# and adjusting the output so that it tests false if an error occurs. +# +# git_get_exact_tag( [ ...]) +# +# Returns the results of git describe --exact-match on the source tree, +# and adjusting the output so that it tests false if there was no exact +# matching tag. +# +# git_local_changes() +# +# Returns either "CLEAN" or "DIRTY" with respect to uncommitted changes. +# Uses the return code of "git diff-index --quiet HEAD --". +# Does not regard untracked files. +# +# Requires CMake 2.6 or newer (uses the 'function' command) +# +# Original Author: +# 2009-2020 Ryan Pavlik +# http://academic.cleardefinition.com +# +# Copyright 2009-2013, Iowa State University. +# Copyright 2013-2020, Ryan Pavlik +# Copyright 2013-2020, Contributors +# SPDX-License-Identifier: BSL-1.0 +# Distributed under the Boost Software License, Version 1.0. +# (See accompanying file LICENSE_1_0.txt or copy at +# http://www.boost.org/LICENSE_1_0.txt) + +if(__get_git_revision_description) + return() +endif() +set(__get_git_revision_description YES) + +# We must run the following at "include" time, not at function call time, +# to find the path to this module rather than the path to a calling list file +get_filename_component(_gitdescmoddir ${CMAKE_CURRENT_LIST_FILE} PATH) + +# Function _git_find_closest_git_dir finds the next closest .git directory +# that is part of any directory in the path defined by _start_dir. +# The result is returned in the parent scope variable whose name is passed +# as variable _git_dir_var. If no .git directory can be found, the +# function returns an empty string via _git_dir_var. +# +# Example: Given a path C:/bla/foo/bar and assuming C:/bla/.git exists and +# neither foo nor bar contain a file/directory .git. This wil return +# C:/bla/.git +# +function(_git_find_closest_git_dir _start_dir _git_dir_var) + set(cur_dir "${_start_dir}") + set(git_dir "${_start_dir}/.git") + while(NOT EXISTS "${git_dir}") + # .git dir not found, search parent directories + set(git_previous_parent "${cur_dir}") + get_filename_component(cur_dir "${cur_dir}" DIRECTORY) + if(cur_dir STREQUAL git_previous_parent) + # We have reached the root directory, we are not in git + set(${_git_dir_var} + "" + PARENT_SCOPE) + return() + endif() + set(git_dir "${cur_dir}/.git") + endwhile() + set(${_git_dir_var} + "${git_dir}" + PARENT_SCOPE) +endfunction() + +function(get_git_head_revision _refspecvar _hashvar) + _git_find_closest_git_dir("${CMAKE_CURRENT_SOURCE_DIR}" GIT_DIR) + + if("${ARGN}" STREQUAL "ALLOW_LOOKING_ABOVE_CMAKE_SOURCE_DIR") + set(ALLOW_LOOKING_ABOVE_CMAKE_SOURCE_DIR TRUE) + else() + set(ALLOW_LOOKING_ABOVE_CMAKE_SOURCE_DIR FALSE) + endif() + if(NOT "${GIT_DIR}" STREQUAL "") + file(RELATIVE_PATH _relative_to_source_dir "${CMAKE_SOURCE_DIR}" + "${GIT_DIR}") + if("${_relative_to_source_dir}" MATCHES "[.][.]" AND NOT ALLOW_LOOKING_ABOVE_CMAKE_SOURCE_DIR) + # We've gone above the CMake root dir. + set(GIT_DIR "") + endif() + endif() + if("${GIT_DIR}" STREQUAL "") + set(${_refspecvar} + "GITDIR-NOTFOUND" + PARENT_SCOPE) + set(${_hashvar} + "GITDIR-NOTFOUND" + PARENT_SCOPE) + return() + endif() + + # Check if the current source dir is a git submodule or a worktree. + # In both cases .git is a file instead of a directory. + # + if(NOT IS_DIRECTORY ${GIT_DIR}) + # The following git command will return a non empty string that + # points to the super project working tree if the current + # source dir is inside a git submodule. + # Otherwise the command will return an empty string. + # + execute_process( + COMMAND "${GIT_EXECUTABLE}" rev-parse + --show-superproject-working-tree + WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}" + OUTPUT_VARIABLE out + ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE) + if(NOT "${out}" STREQUAL "") + # If out is empty, GIT_DIR/CMAKE_CURRENT_SOURCE_DIR is in a submodule + file(READ ${GIT_DIR} submodule) + string(REGEX REPLACE "gitdir: (.*)$" "\\1" GIT_DIR_RELATIVE + ${submodule}) + string(STRIP ${GIT_DIR_RELATIVE} GIT_DIR_RELATIVE) + get_filename_component(SUBMODULE_DIR ${GIT_DIR} PATH) + get_filename_component(GIT_DIR ${SUBMODULE_DIR}/${GIT_DIR_RELATIVE} + ABSOLUTE) + set(HEAD_SOURCE_FILE "${GIT_DIR}/HEAD") + else() + # GIT_DIR/CMAKE_CURRENT_SOURCE_DIR is in a worktree + file(READ ${GIT_DIR} worktree_ref) + # The .git directory contains a path to the worktree information directory + # inside the parent git repo of the worktree. + # + string(REGEX REPLACE "gitdir: (.*)$" "\\1" git_worktree_dir + ${worktree_ref}) + string(STRIP ${git_worktree_dir} git_worktree_dir) + _git_find_closest_git_dir("${git_worktree_dir}" GIT_DIR) + set(HEAD_SOURCE_FILE "${git_worktree_dir}/HEAD") + endif() + else() + set(HEAD_SOURCE_FILE "${GIT_DIR}/HEAD") + endif() + set(GIT_DATA "${CMAKE_CURRENT_BINARY_DIR}/CMakeFiles/git-data") + if(NOT EXISTS "${GIT_DATA}") + file(MAKE_DIRECTORY "${GIT_DATA}") + endif() + + if(NOT EXISTS "${HEAD_SOURCE_FILE}") + return() + endif() + set(HEAD_FILE "${GIT_DATA}/HEAD") + configure_file("${HEAD_SOURCE_FILE}" "${HEAD_FILE}" COPYONLY) + + configure_file("${_gitdescmoddir}/GetGitRevisionDescription.cmake.in" + "${GIT_DATA}/grabRef.cmake" @ONLY) + include("${GIT_DATA}/grabRef.cmake") + + set(${_refspecvar} + "${HEAD_REF}" + PARENT_SCOPE) + set(${_hashvar} + "${HEAD_HASH}" + PARENT_SCOPE) +endfunction() + +function(git_describe _var) + if(NOT GIT_FOUND) + find_package(Git QUIET) + endif() + get_git_head_revision(refspec hash) + if(NOT GIT_FOUND) + set(${_var} + "GIT-NOTFOUND" + PARENT_SCOPE) + return() + endif() + if(NOT hash) + set(${_var} + "HEAD-HASH-NOTFOUND" + PARENT_SCOPE) + return() + endif() + + # TODO sanitize + #if((${ARGN}" MATCHES "&&") OR + # (ARGN MATCHES "||") OR + # (ARGN MATCHES "\\;")) + # message("Please report the following error to the project!") + # message(FATAL_ERROR "Looks like someone's doing something nefarious with git_describe! Passed arguments ${ARGN}") + #endif() + + #message(STATUS "Arguments to execute_process: ${ARGN}") + + execute_process( + COMMAND "${GIT_EXECUTABLE}" describe --tags --always ${hash} ${ARGN} + WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}" + RESULT_VARIABLE res + OUTPUT_VARIABLE out + ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE) + if(NOT res EQUAL 0) + set(out "${out}-${res}-NOTFOUND") + endif() + + set(${_var} + "${out}" + PARENT_SCOPE) +endfunction() + +function(git_describe_working_tree _var) + if(NOT GIT_FOUND) + find_package(Git QUIET) + endif() + if(NOT GIT_FOUND) + set(${_var} + "GIT-NOTFOUND" + PARENT_SCOPE) + return() + endif() + + execute_process( + COMMAND "${GIT_EXECUTABLE}" describe --dirty ${ARGN} + WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}" + RESULT_VARIABLE res + OUTPUT_VARIABLE out + ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE) + if(NOT res EQUAL 0) + set(out "${out}-${res}-NOTFOUND") + endif() + + set(${_var} + "${out}" + PARENT_SCOPE) +endfunction() + +function(git_get_exact_tag _var) + git_describe(out --exact-match ${ARGN}) + set(${_var} + "${out}" + PARENT_SCOPE) +endfunction() + +function(git_local_changes _var) + if(NOT GIT_FOUND) + find_package(Git QUIET) + endif() + get_git_head_revision(refspec hash) + if(NOT GIT_FOUND) + set(${_var} + "GIT-NOTFOUND" + PARENT_SCOPE) + return() + endif() + if(NOT hash) + set(${_var} + "HEAD-HASH-NOTFOUND" + PARENT_SCOPE) + return() + endif() + + execute_process( + COMMAND "${GIT_EXECUTABLE}" diff-index --quiet HEAD -- + WORKING_DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}" + RESULT_VARIABLE res + OUTPUT_VARIABLE out + ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE) + if(res EQUAL 0) + set(${_var} + "CLEAN" + PARENT_SCOPE) + else() + set(${_var} + "DIRTY" + PARENT_SCOPE) + endif() +endfunction() diff --git a/cmake/GetGitRevisionDescription.cmake.in b/cmake/GetGitRevisionDescription.cmake.in new file mode 100644 index 0000000..116efc4 --- /dev/null +++ b/cmake/GetGitRevisionDescription.cmake.in @@ -0,0 +1,43 @@ +# +# Internal file for GetGitRevisionDescription.cmake +# +# Requires CMake 2.6 or newer (uses the 'function' command) +# +# Original Author: +# 2009-2010 Ryan Pavlik +# http://academic.cleardefinition.com +# Iowa State University HCI Graduate Program/VRAC +# +# Copyright 2009-2012, Iowa State University +# Copyright 2011-2015, Contributors +# Distributed under the Boost Software License, Version 1.0. +# (See accompanying file LICENSE_1_0.txt or copy at +# http://www.boost.org/LICENSE_1_0.txt) +# SPDX-License-Identifier: BSL-1.0 + +set(HEAD_HASH) + +file(READ "@HEAD_FILE@" HEAD_CONTENTS LIMIT 1024) + +string(STRIP "${HEAD_CONTENTS}" HEAD_CONTENTS) +if(HEAD_CONTENTS MATCHES "ref") + # named branch + string(REPLACE "ref: " "" HEAD_REF "${HEAD_CONTENTS}") + if(EXISTS "@GIT_DIR@/${HEAD_REF}") + configure_file("@GIT_DIR@/${HEAD_REF}" "@GIT_DATA@/head-ref" COPYONLY) + else() + configure_file("@GIT_DIR@/packed-refs" "@GIT_DATA@/packed-refs" COPYONLY) + file(READ "@GIT_DATA@/packed-refs" PACKED_REFS) + if(${PACKED_REFS} MATCHES "([0-9a-z]*) ${HEAD_REF}") + set(HEAD_HASH "${CMAKE_MATCH_1}") + endif() + endif() +else() + # detached HEAD + configure_file("@GIT_DIR@/HEAD" "@GIT_DATA@/head-ref" COPYONLY) +endif() + +if(NOT HEAD_HASH) + file(READ "@GIT_DATA@/head-ref" HEAD_HASH LIMIT 1024) + string(STRIP "${HEAD_HASH}" HEAD_HASH) +endif() diff --git a/cmake/LICENSE_1_0.txt b/cmake/LICENSE_1_0.txt new file mode 100644 index 0000000..36b7cd9 --- /dev/null +++ b/cmake/LICENSE_1_0.txt @@ -0,0 +1,23 @@ +Boost Software License - Version 1.0 - August 17th, 2003 + +Permission is hereby granted, free of charge, to any person or organization +obtaining a copy of the software and accompanying documentation covered by +this license (the "Software") to use, reproduce, display, distribute, +execute, and transmit the Software, and to prepare derivative works of the +Software, and to permit third-parties to whom the Software is furnished to +do so, all subject to the following: + +The copyright notices in the Software and this entire statement, including +the above license grant, this restriction and the following disclaimer, +must be included in all copies of the Software, in whole or in part, and +all derivative works of the Software, unless such copies or derivative +works are solely in the form of machine-executable object code generated by +a source language processor. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT +SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE +FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, +ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +DEALINGS IN THE SOFTWARE. diff --git a/qpms/CMakeLists.txt b/qpms/CMakeLists.txt index df93616..4373c8e 100644 --- a/qpms/CMakeLists.txt +++ b/qpms/CMakeLists.txt @@ -7,15 +7,23 @@ find_package(LAPACK REQUIRED) # and other not very relevant warnings set (CMAKE_C_FLAGS "${CMAKE_C_FLAGS} -Wno-int-in-bool-context -Wno-comment") +# version file +include(GetGitRevisionDescription) +get_git_head_revision(GIT_REFSPEC GIT_SHA1) +configure_file("${CMAKE_CURRENT_SOURCE_DIR}/version.c.in" "${CMAKE_CURRENT_BINARY_DIR}/version.c" @ONLY) +list(APPEND SOURCES "${CMAKE_CURRENT_BINARY_DIR}/version.c" version.h) + #includes set (DIRS ${GSL_INCLUDE_DIRS} ${GSLCBLAS_INCLUDE_DIRS}) include_directories(${DIRS}) + + add_library (qpms SHARED translations.c tmatrices.c vecprint.c vswf.c wigner.c ewald.c ewaldsf.c pointgroups.c latticegens.c lattices2d.c gaunt.c error.c legendre.c symmetries.c vecprint.c bessel.c own_zgemm.c parsing.c scatsystem.c materials.c drudeparam_data.c - lll.c beyn.c trivialgroup.c + lll.c beyn.c trivialgroup.c version.c ) use_c99() diff --git a/qpms/__init__.py b/qpms/__init__.py index 61ec6cd..ea722d4 100644 --- a/qpms/__init__.py +++ b/qpms/__init__.py @@ -7,7 +7,7 @@ from sys import platform as __platform import warnings as __warnings try: - from .qpms_c import PointGroup, FinitePointGroup, FinitePointGroupElement, Particle, scatsystem_set_nthreads, ScatteringSystem, ScatteringMatrix, pitau, set_gsl_pythonic_error_handling, pgsl_ignore_error, gamma_inc, lll_reduce + from .qpms_c import PointGroup, FinitePointGroup, FinitePointGroupElement, Particle, scatsystem_set_nthreads, ScatteringSystem, ScatteringMatrix, pitau, set_gsl_pythonic_error_handling, pgsl_ignore_error, gamma_inc, lll_reduce, qpms_library_version except ImportError as ex: if __platform == "linux" or __platform == "linux2": if 'LD_LIBRARY_PATH' not in __os.environ.keys(): diff --git a/qpms/qpms_c.pyx b/qpms/qpms_c.pyx index c0b17c8..68ba71e 100644 --- a/qpms/qpms_c.pyx +++ b/qpms/qpms_c.pyx @@ -17,6 +17,9 @@ from .cymaterials cimport EpsMuGenerator, EpsMu from libc.stdlib cimport malloc, free, calloc import warnings +def qpms_library_version(): + return "git_" + qpms_version_git_sha1.decode('utf-8') + from cython.parallel cimport prange, parallel from cython cimport boundscheck, wraparound diff --git a/qpms/qpms_cdefs.pxd b/qpms/qpms_cdefs.pxd index 795323b..1ca0476 100644 --- a/qpms/qpms_cdefs.pxd +++ b/qpms/qpms_cdefs.pxd @@ -4,6 +4,9 @@ ctypedef double complex cdouble from libc.stdint cimport * +cdef extern from "version.h": + const char *qpms_version_git_sha1 + cdef extern from "gsl/gsl_errno.h": ctypedef void gsl_error_handler_t (const char *reason, const char *file, int line, int gsl_errno) diff --git a/qpms/version.c.in b/qpms/version.c.in new file mode 100644 index 0000000..c8ec462 --- /dev/null +++ b/qpms/version.c.in @@ -0,0 +1,2 @@ +#define QPMS_GIT_SHA1 "@GIT_SHA1@" +const char qpms_version_git_sha1[] = QPMS_GIT_SHA1; diff --git a/qpms/version.h b/qpms/version.h new file mode 100644 index 0000000..09f84e9 --- /dev/null +++ b/qpms/version.h @@ -0,0 +1,4 @@ +#ifndef QPMS_VERSION_H +#define QPMS_VERSION_H +extern const char qpms_version_git_sha1[]; +#endif //QPMS_VERSION_H From 260b0531027108b2f42a3a254d50ee2e9e13f86c Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Tue, 21 Jun 2022 07:48:20 +0300 Subject: [PATCH 2/3] Fix __version__, pdf annotate function --- qpms/__init__.py | 7 +++++-- qpms/argproc.py | 19 +++++++++++++++++++ 2 files changed, 24 insertions(+), 2 deletions(-) diff --git a/qpms/__init__.py b/qpms/__init__.py index ea722d4..f83e93b 100644 --- a/qpms/__init__.py +++ b/qpms/__init__.py @@ -1,5 +1,3 @@ -from pkg_resources import get_distribution -__version__ = get_distribution('qpms').version import os as __os from sys import platform as __platform @@ -24,6 +22,11 @@ from .cymaterials import MaterialInterpolator, EpsMu, LorentzDrudeModel, lorentz from .cycommon import dbgmsg_enable, dbgmsg_disable, dbgmsg_active, BesselType, VSWFType from .cywaves import vswf_single +def __version__(): + from pkg_resources import get_distribution + librev = qpms_library_version() + return get_distribution('qpms').version + (("lr:"+librev) if librev else "") + #from .qpms_p import * # don't import automatically (adds around 0.5 s delay and depends on scipy) from .constants import * diff --git a/qpms/argproc.py b/qpms/argproc.py index b06e9b7..c77e1f4 100644 --- a/qpms/argproc.py +++ b/qpms/argproc.py @@ -540,3 +540,22 @@ class ArgParser: plist.extend([Particle(pos, t, bspec=bspec) for pos in poss]) return plist +#TODO perhaps move into another module +def annotate_pdf_metadata(pdfPages, scriptname=None, keywords=None, author=None, title=None, subject=None, **kwargs): + """Adds QPMS version-related metadata to a matplotlib PdfPages object + + Use before closing the PDF file. + """ + from .qpms_c import qpms_library_version + d = pdfPages.infodict() + d['Creator'] = "QPMS%s (lib rev. %s), https://qpms.necada.org" % ( + "" if scriptname is None else (" "+scriptname), qpms_library_version()) + if author is not None: + d['Author'] = author + if title is not None: + d['Title'] = title + if subject is not None: + d['Subject'] = subject + if keywords is not None: + d['Keywords'] = ' '.join(keywords) + d.update(kwargs) From a1472f3db6610461ab6a94de0bc3927601230350 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Marek=20Ne=C4=8Dada?= Date: Tue, 21 Jun 2022 08:33:35 +0300 Subject: [PATCH 3/3] Version metadata into output files --- misc/finiterectlat-constant-driving.py | 9 +++++---- misc/finiterectlat-modes.py | 12 +++++++----- misc/finiterectlat-scatter.py | 6 ++++-- misc/infiniterectlat-k0realfreqsvd.py | 13 ++++++++----- misc/infiniterectlat-scatter.py | 6 +++--- misc/lat2d_modes.py | 10 +++++++--- misc/lat2d_realfreqsvd.py | 11 +++++++---- misc/rectlat_simple_modes.py | 10 +++++++--- 8 files changed, 48 insertions(+), 29 deletions(-) diff --git a/misc/finiterectlat-constant-driving.py b/misc/finiterectlat-constant-driving.py index 4d3a0ea..4bf2cb9 100755 --- a/misc/finiterectlat-constant-driving.py +++ b/misc/finiterectlat-constant-driving.py @@ -1,7 +1,7 @@ #!/usr/bin/env python3 import math -from qpms.argproc import ArgParser, make_dict_action, sslice +from qpms.argproc import ArgParser, make_dict_action, sslice, annotate_pdf_metadata figscale=3 ap = ArgParser(['rectlattice2d_finite', 'single_particle', 'single_lMax', 'single_omega']) @@ -44,7 +44,7 @@ import numpy as np import qpms from qpms.cybspec import BaseSpec from qpms.cytmatrices import CTMatrix, TMatrixGenerator -from qpms.qpms_c import Particle +from qpms.qpms_c import Particle, qpms_library_version from qpms.cymaterials import EpsMu, EpsMuGenerator, LorentzDrudeModel, lorentz_drude from qpms.cycommon import DebugFlags, dbgmsg_enable from qpms import FinitePointGroup, ScatteringSystem, BesselType, eV, hbar @@ -225,7 +225,7 @@ for iri in range(ss.nirreps): scattered_full[spi, y] += scattered_ir_unpacked[spi, y] if a.save_gradually: iriout = outfile_tmp + ".%d" % iri - np.savez(iriout, iri=iri, meta=vars(a), + np.savez(iriout, iri=iri, meta={**vars(a), 'qpms_version' : qpms.__version__()}, omega=omega, wavenumber=wavenumber, nelem=nelem, wavevector=np.array(a.wavevector), phases=phases, positions = ss.positions[:,:2], scattered_ir_packed = scattered_ir[iri], @@ -251,7 +251,7 @@ if not math.isnan(a.ccd_distance): logging.info("Far fields done") outfile = defaultprefix + ".npz" if a.output is None else a.output -np.savez(outfile, meta=vars(a), +np.savez(outfile, meta={**vars(a), 'qpms_version' : qpms.__version__()}, omega=omega, wavenumber=wavenumber, nelem=nelem, wavevector=np.array(a.wavevector), phases=phases, positions = ss.positions[:,:2], scattered_ir_packed = scattered_ir, @@ -355,6 +355,7 @@ if a.plot or (a.plot_out is not None): axes[y,gg].yaxis.set_major_formatter(plt.NullFormatter()) fig.text(0, 0, str(slicepairs[spi]), horizontalalignment='left', verticalalignment='bottom') pp.savefig() + annotate_pdf_metadata(pp, scriptname="finiterectlat-constant-driving.py") pp.close() exit(0) diff --git a/misc/finiterectlat-modes.py b/misc/finiterectlat-modes.py index 39b946a..701d61d 100755 --- a/misc/finiterectlat-modes.py +++ b/misc/finiterectlat-modes.py @@ -1,7 +1,7 @@ #!/usr/bin/env python3 import math -from qpms.argproc import ArgParser +from qpms.argproc import ArgParser, annotate_pdf_metadata ap = ArgParser(['rectlattice2d_finite', 'background_analytical', 'single_particle', 'single_lMax', ]) @@ -100,7 +100,7 @@ results['inside_contour'] = inside_ellipse((results['eigval'].real, results['eig results['refractive_index_internal'] = [medium(om).n for om in results['eigval']] outfile = defaultprefix + (('_ir%s_%s.npz' % (str(iri), irname)) if iri is not None else '.npz') if a.output is None else a.output -np.savez(outfile, meta=vars(a), **results) +np.savez(outfile, meta={**vars(a), 'qpms_version' : qpms.__version__()}, **results) logging.info("Saved to %s" % outfile) exit(0) @@ -110,7 +110,7 @@ if a.plot or (a.plot_out is not None): import matplotlib matplotlib.use('pdf') from matplotlib import pyplot as plt - + from matplotlib.backends.backend_pdf import PdfPages fig = plt.figure() ax = fig.add_subplot(111) ax.plot(sinalpha_list, σ_ext*1e12,label='$\sigma_\mathrm{ext}$') @@ -119,9 +119,11 @@ if a.plot or (a.plot_out is not None): ax.legend() ax.set_xlabel('$\sin\\alpha$') ax.set_ylabel('$\sigma/\mathrm{\mu m^2}$') - + plotfile = defaultprefix + ".pdf" if a.plot_out is None else a.plot_out - fig.savefig(plotfile) + with PdfPages(plotfile) as pdf: + pdf.savefig(fig) + annotate_pdf_metadata(pdf, scriptname='finiterectlat-modes.py') exit(0) diff --git a/misc/finiterectlat-scatter.py b/misc/finiterectlat-scatter.py index 98a3f30..82eae39 100755 --- a/misc/finiterectlat-scatter.py +++ b/misc/finiterectlat-scatter.py @@ -111,7 +111,7 @@ for i, omega in enumerate(ap.allomegas): σ_scat_arr_ir[i, j, iri] = np.vdot(fi,np.dot(translation_matrix, fi)).real/wavenumber**2 if a.save_gradually: iriout = outfile_tmp + ".%d.%d" % (i, iri) - np.savez(iriout, omegai=i, iri=iri, meta=vars(a), omega=omega, k_sph=k_sph_list, k_cart = k_cart_arr, E_cart=E_cart_list, E_sph=np.array(E_sph), + np.savez(iriout, omegai=i, iri=iri, meta={**vars(a), 'qpms_version' : qpms.__version__()}, omega=omega, k_sph=k_sph_list, k_cart = k_cart_arr, E_cart=E_cart_list, E_sph=np.array(E_sph), wavenumber=wavenumber, σ_ext_list_ir=σ_ext_arr_ir[i,:,iri], σ_scat_list_ir=σ_scat_list_ir[i,:,iri]) logging.info("partial results saved to %s"%iriout) @@ -122,7 +122,8 @@ for i, omega in enumerate(ap.allomegas): outfile = defaultprefix + ".npz" if a.output is None else a.output -np.savez(outfile, meta=vars(a), k_sph=k_sph_list, k_cart = k_cart_arr, E_cart=E_cart_list, E_sph=np.array(E_sph), +np.savez(outfile, meta={**vars(a), 'qpms_version' : qpms.__version__()}, + k_sph=k_sph_list, k_cart = k_cart_arr, E_cart=E_cart_list, E_sph=np.array(E_sph), σ_ext=σ_ext_arr,σ_abs=σ_abs_arr,σ_scat=σ_scat_arr, σ_ext_ir=σ_ext_arr_ir,σ_abs_ir=σ_abs_arr_ir,σ_scat_ir=σ_scat_arr_ir, omega=ap.allomegas, wavenumbers=wavenumbers ) @@ -231,6 +232,7 @@ if a.plot or (a.plot_out is not None): pdf.savefig(fig) plt.close(fig) + annotate_pdf_metadata(pdf, scriptname="finiterectlat-scatter.py") exit(0) diff --git a/misc/infiniterectlat-k0realfreqsvd.py b/misc/infiniterectlat-k0realfreqsvd.py index fb85093..ee9e2da 100755 --- a/misc/infiniterectlat-k0realfreqsvd.py +++ b/misc/infiniterectlat-k0realfreqsvd.py @@ -1,7 +1,7 @@ #!/usr/bin/env python3 import math -from qpms.argproc import ArgParser +from qpms.argproc import ArgParser, annotate_pdf_metadata ap = ArgParser(['rectlattice2d', 'single_particle', 'single_lMax', 'omega_seq']) ap.add_argument("-o", "--output", type=str, required=False, help='output path (if not provided, will be generated automatically)') @@ -93,7 +93,7 @@ for i, omega in enumerate(omegas): SVs[iri][i] = np.linalg.svd(ImTW_packed, compute_uv = False) outfile = defaultprefix + ".npz" if a.output is None else a.output -np.savez(outfile, meta=vars(a), omegas=omegas, wavenumbers=wavenumbers, SVs=np.concatenate(SVs, axis=-1), irrep_names=ss1.irrep_names, irrep_sizes=ss1.saecv_sizes, unitcell_area=ss.unitcell_volume +np.savez(outfile, meta={**vars(a), 'qpms_version' : qpms.__version__()}, omegas=omegas, wavenumbers=wavenumbers, SVs=np.concatenate(SVs, axis=-1), irrep_names=ss1.irrep_names, irrep_sizes=ss1.saecv_sizes, unitcell_area=ss.unitcell_volume ) logging.info("Saved to %s" % outfile) @@ -102,7 +102,8 @@ if a.plot or (a.plot_out is not None): import matplotlib matplotlib.use('pdf') from matplotlib import pyplot as plt - + from matplotlib.backends.backend_pdf import PdfPages + fig = plt.figure() ax = fig.add_subplot(111) cc = plt.rcParams['axes.prop_cycle']() @@ -117,9 +118,11 @@ if a.plot or (a.plot_out is not None): ax.set_xlabel('$\hbar \omega / \mathrm{eV}$') ax.set_ylabel('Singular values') ax.legend() - + plotfile = defaultprefix + ".pdf" if a.plot_out is None else a.plot_out - fig.savefig(plotfile) + with PdfPages(plotfile) as pdf: + pdf.savefig(fig) + annotate_pdf_metadata(pdf, scriptname='infiniterectlat-k0realfreqsvd.py') exit(0) diff --git a/misc/infiniterectlat-scatter.py b/misc/infiniterectlat-scatter.py index 9caa0de..116d7b8 100755 --- a/misc/infiniterectlat-scatter.py +++ b/misc/infiniterectlat-scatter.py @@ -2,7 +2,7 @@ import math pi = math.pi -from qpms.argproc import ArgParser +from qpms.argproc import ArgParser, annotate_pdf_metadata ap = ArgParser(['rectlattice2d', 'single_particle', 'single_lMax', 'omega_seq_real_ng', 'planewave']) ap.add_argument("-o", "--output", type=str, required=False, help='output path (if not provided, will be generated automatically)') @@ -106,7 +106,7 @@ with pgsl_ignore_error(15): # avoid gsl crashing on underflow σ_abs_arr = σ_ext_arr - σ_scat_arr outfile = defaultprefix + ".npz" if a.output is None else a.output -np.savez(outfile, meta=vars(a), dir_sph=dir_sph_list, k_cart = k_cart_arr, omega = ap.allomegas, E_cart = E_cart_list, wavenumbers= wavenumbers, σ_ext=σ_ext_arr,σ_abs=σ_abs_arr,σ_scat=σ_scat_arr, unitcell_area=ss.unitcell_volume +np.savez(outfile, meta={**vars(a), 'qpms_version' : qpms.__version__()}, dir_sph=dir_sph_list, k_cart = k_cart_arr, omega = ap.allomegas, E_cart = E_cart_list, wavenumbers= wavenumbers, σ_ext=σ_ext_arr,σ_abs=σ_abs_arr,σ_scat=σ_scat_arr, unitcell_area=ss.unitcell_volume ) logging.info("Saved to %s" % outfile) @@ -214,6 +214,6 @@ if a.plot or (a.plot_out is not None): pdf.savefig(fig) plt.close(fig) - + annotate_pdf_metadata(pdf) exit(0) diff --git a/misc/lat2d_modes.py b/misc/lat2d_modes.py index f7dad4b..8eea75b 100755 --- a/misc/lat2d_modes.py +++ b/misc/lat2d_modes.py @@ -1,7 +1,7 @@ #!/usr/bin/env python3 import math -from qpms.argproc import ArgParser, sfloat +from qpms.argproc import ArgParser, sfloat, annotate_pdf_metadata ap = ArgParser(['const_real_background', 'lattice2d', 'multi_particle']) # TODO general analytical background @@ -112,7 +112,7 @@ res['inside_contour'] = inside_ellipse((res['eigval'].real, res['eigval'].imag), #del res['omega'] If contour points are not needed... #del res['ImTW'] # not if dbg=false anyway outfile = defaultprefix + ".npz" if a.output is None else a.output -np.savez(outfile, meta=vars(a), empty_freqs=np.array(empty_freqs), +np.savez(outfile, meta={**vars(a), 'qpms_version' : qpms.__version__()}, empty_freqs=np.array(empty_freqs), ss_positions=ss.positions, ss_fullvec_poffsets=ss.fullvec_poffsets, ss_fullvec_psizes=ss.fullvec_psizes, ss_bspecs_flat = np.concatenate(ss.bspecs), @@ -132,6 +132,7 @@ if a.plot or (a.plot_out is not None): import matplotlib matplotlib.use('pdf') from matplotlib import pyplot as plt + from matplotlib.backends.backend_pdf import PdfPages fig = plt.figure() ax = fig.add_subplot(111,) @@ -155,8 +156,11 @@ if a.plot or (a.plot_out is not None): ax.set_ylim([ymin-.1*yspan, ymax+.1*yspan]) ax.set_xlabel('$\hbar \Re \omega / \mathrm{eV}$') ax.set_ylabel('$\hbar \Im \omega / \mathrm{meV}$') + plotfile = defaultprefix + ".pdf" if a.plot_out is None else a.plot_out - fig.savefig(plotfile) + with PdfPages(plotfile) as pdf: + pdf.savefig(fig) + annotate_pdf_metadata(pdf, scriptname='lat2d_modes.py') exit(0) diff --git a/misc/lat2d_realfreqsvd.py b/misc/lat2d_realfreqsvd.py index 90551b7..b955575 100755 --- a/misc/lat2d_realfreqsvd.py +++ b/misc/lat2d_realfreqsvd.py @@ -1,7 +1,7 @@ #!/usr/bin/env python3 import math -from qpms.argproc import ArgParser, sfloat +from qpms.argproc import ArgParser, sfloat, annotate_pdf_metadata ap = ArgParser(['background', 'lattice2d', 'multi_particle', 'omega_seq']) @@ -88,7 +88,7 @@ for i, omega in enumerate(omegas): SVs[iri][i] = np.linalg.svd(ImTW_packed, compute_uv = False) outfile = defaultprefix + ".npz" if a.output is None else a.output -np.savez(outfile, meta=vars(a), omegas=omegas, wavenumbers=wavenumbers, SVs=np.concatenate(SVs, axis=-1), irrep_names=ss1.irrep_names, irrep_sizes=ss1.saecv_sizes, unitcell_area=ss.unitcell_volume +np.savez(outfile, meta={**vars(a), 'qpms_version' : qpms.__version__()}, omegas=omegas, wavenumbers=wavenumbers, SVs=np.concatenate(SVs, axis=-1), irrep_names=ss1.irrep_names, irrep_sizes=ss1.saecv_sizes, unitcell_area=ss.unitcell_volume ) logging.info("Saved to %s" % outfile) @@ -97,6 +97,7 @@ if a.plot or (a.plot_out is not None): import matplotlib matplotlib.use('pdf') from matplotlib import pyplot as plt + from matplotlib.backends.backend_pdf import PdfPages fig = plt.figure() ax = fig.add_subplot(111) @@ -118,9 +119,11 @@ if a.plot or (a.plot_out is not None): ax.set_xlabel('$\hbar \omega / \mathrm{eV}$') ax.set_ylabel('Singular values') ax.legend() - + plotfile = defaultprefix + ".pdf" if a.plot_out is None else a.plot_out - fig.savefig(plotfile) + with PdfPages(plotfile) as pdf: + pdf.savefig(fig) + annotate_pdf_metadata(pdf, scriptname='lat2d_realfreqsvd.py') exit(0) diff --git a/misc/rectlat_simple_modes.py b/misc/rectlat_simple_modes.py index 1f706fa..b39b5e4 100755 --- a/misc/rectlat_simple_modes.py +++ b/misc/rectlat_simple_modes.py @@ -1,7 +1,7 @@ #!/usr/bin/env python3 import math -from qpms.argproc import ArgParser +from qpms.argproc import ArgParser, annotate_pdf_metadata ap = ArgParser(['rectlattice2d', 'const_real_background', 'single_particle', 'single_lMax']) # const_real_background needed for calculation of the diffracted orders ap.add_argument("-k", nargs=2, type=float, required=True, help='k vector', metavar=('K_X', 'K_Y')) @@ -116,7 +116,7 @@ res['refractive_index_internal'] = [emg(om).n for om in res['eigval']] #del res['omega'] If contour points are not needed... #del res['ImTW'] # not if dbg=false anyway outfile = defaultprefix + ".npz" if a.output is None else a.output -np.savez(outfile, meta=vars(a), empty_freqs=np.array(empty_freqs), +np.savez(outfile, meta={**vars(a), 'qpms_version' : qpms.__version__()}, empty_freqs=np.array(empty_freqs), ss_positions=ss.positions, ss_fullvec_poffsets=ss.fullvec_poffsets, ss_fullvec_psizes=ss.fullvec_psizes, ss_bspecs_flat = np.concatenate(ss.bspecs), @@ -133,6 +133,7 @@ if a.plot or (a.plot_out is not None): import matplotlib matplotlib.use('pdf') from matplotlib import pyplot as plt + from matplotlib.backends.backend_pdf import PdfPages fig = plt.figure() ax = fig.add_subplot(111,) @@ -156,8 +157,11 @@ if a.plot or (a.plot_out is not None): ax.set_ylim([ymin-.1*yspan, ymax+.1*yspan]) ax.set_xlabel('$\hbar \Re \omega / \mathrm{eV}$') ax.set_ylabel('$\hbar \Im \omega / \mathrm{meV}$') + plotfile = defaultprefix + ".pdf" if a.plot_out is None else a.plot_out - fig.savefig(plotfile) + with PdfPages(plotfile) as pdf: + pdf.savefig(fig) + annotate_pdf_metadata(pdf, scriptname="rectlat_simple_modes.py") exit(0)