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Merge pull request #93 from michaelmarty/v3
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Version 7.0.0 Beta1
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@michaelmarty
michaelmarty authored May 14, 2024
2 parents 2ec93d0 + 98c3bef commit 4862d37
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271 changes: 271 additions & 0 deletions .gitignore
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*.pyc
*.map
*.md5
*.tex
*.hdf5
unidec_doc
.idea
*.spec
*.sdf
*.vcxproj.filters
*.vcxproj.user
*.VC.db
*.o
*.obj
*.suo
conf.dat
unidec_src/UniDec/.vs
unidec_src/UniDec/x64
UD_peak_width.h
Licensing
Scripts
.svn
dist
build
old
TestSpectra
default_conf.dat
unidec_src/cfunction/x64
unidec_src/cfunction/libmypfunc32.dll
Scripts/MTM/unidec_tests.py
pyinstaller_64.bat
pyinstaller_64_dist.bat
/Scripts/MTM/fft_test.py
Scripts/test_with_spectrum.py
todo.txt
unidec/bin/Other_builds/
unidec_src/Old
test_GUI.py
Scripts/MTM/test_UniDec.py
unidec/metaunidec/test_MUD.py
unidec/bin/CDCReaderOld.exe
Scripts/MTM/Old/fft_test.py
unidec_src/UniDec/compilewin.bat
unidec_src/UniDec/UniDec.pdb
unidec_src/UniDec/compilewinpgcc.bat
/unidec/modules/GridDecon2.py
/unidec/bin/multiplierz/
unidec/modules/1D_Mass_Defects.txt
unidec/modules/2D_Mass_Defects.txt
unidec/modules/Mass_Defect_Extracts.txt
unidec/modules/Mass_Defect_Grid.txt
unidec/modules/Total_1D_Mass_Defects.txt
unidec/modules/Total_2D_Mass_Defects.txt
unidec/modules/Mass_Defect_Extracts_xvals.txt
unidec/modules/0_1D_Mass_Defects.txt
unidec/modules/0_2D_Mass_Defects.txt
unidec/modules/1_1D_Mass_Defects.txt
unidec/modules/1_2D_Mass_Defects.txt
unidec_src/UniDec/UniDec.VC.VC.opendb
unidec_src/UniDec/UD_sg.h
unidec_src/UniDec/UniDec_Mainh-rev485.h
unidec_src/UniDec/UniDech-rev511.h
unidec/bin/old_waters/
unidec/modules/Mass_Defect_Extracts_Total.txt
UniDecPastedSpectra/
unidec/iFAMS/test_unidecfiles/
/unidec/modules/waters_importer/old/
/unidec/modules/waters_importer/MassLynxLockMassProcessor.py
/unidec/modules/waters_importer/MassLynxRaw.lib
unidec_src/UniDec/UniDec.log
unidec_src/UniDec/oldVS/
/unidec/bin/Example Data/ADH_unidecfiles/ADH_fitdat.bin
/unidec/bin/Example Data/ADH_unidecfiles/ADH_grid.bin
/unidec/bin/Example Data/ADH_unidecfiles/ADH_match.dat
/unidec/bin/Example Data/ADH_unidecfiles/ADH_mass.txt
/unidec/bin/Example Data/ADH_unidecfiles/ADH_input.dat
/unidec/bin/Example Data/ADH_unidecfiles/ADH_massgrid.bin
/unidec/bin/Example Data/ADH_unidecfiles/ADH_error.txt
/unidec/bin/Example Data/ADH_unidecfiles/ADH_rawdata.txt
/unidec/bin/Example Data/ADH_unidecfiles/ADH_peaks.dat
/unidec/bin/Example Data/ADH_unidecfiles/default.hdf5
/unidec/bin/Example Data/BSA_unidecfiles/BSA_input.dat
/unidec/bin/Example Data/BSA_unidecfiles/BSA_match.dat
/unidec/bin/Example Data/BSA_unidecfiles/BSA_error.txt
/unidec/bin/Example Data/BSA_unidecfiles/BSA_grid.bin
/unidec/bin/Example Data/BSA_unidecfiles/BSA_massgrid.bin
/unidec/bin/Example Data/BSA_unidecfiles/BSA_rawdata.txt
/unidec/bin/Example Data/BSA_unidecfiles/BSA_fitdat.bin
/unidec/bin/Example Data/BSA_unidecfiles/BSA_mass.txt
/unidec/bin/Example Data/BSA_unidecfiles/BSA_peaks.dat
/unidec/bin/Example Data/UniDec_Figures_and_Files/
/unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_fitdat.bin
/unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_rawdata.txt
/unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_grid.bin
/unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_massgrid.bin
/unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_error.txt
/unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_match.dat
/unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_peaks.dat
/unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_input.dat
/unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_mass.txt
/unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_mass.txt
/unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_rawdata.txt
/unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_peaks.dat
/unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_fitdat.bin
/unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_input.dat
/unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_massgrid.bin
/unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_grid.bin
/unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_error.txt
/unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_grid.bin
/unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_rawdata.txt
/unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_error.txt
/unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_mass.txt
/unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_massgrid.bin
/unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_input.dat
/unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_fitdat.bin
/unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_peaks.dat
unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_Total_1D_Mass_Defects.txt
unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_Total_2D_Mass_Defects.txt
unidec/bin/Example Data/BSA_unidecfiles/BSA_chargedata.dat
unidec/bin/Example Data/BSA_unidecfiles/BSA_chargedata_areas.dat
unidec/bin/Example Data/BSA_unidecfiles/BSA_peakparam.dat
/__pycache__/
__pycache__/
__pycache__
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_peak_areas.dat
unidec/bin/mkl_intel_thread.dll
unidec/bin/Example Data/ADH_unidecfiles/ADH_peak_areas.dat
unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_1D_Mass_Defects.txt
unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_2D_Mass_Defects.txt
Scripts/MTM/Old/greparam.py
unidec/bin/Presets/Marius/
MANIFEST.in
desktop.ini
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure1.pdf
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure2.pdf
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure3.pdf
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure4.pdf
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure5.pdf
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure6.pdf
unidec/bin/Example Data/BSA_unidecfiles/BSA_manualfile.dat
unidec/bin/Example Data/BSA_unidecfiles/BSA_report.aux
unidec/bin/Example Data/BSA_unidecfiles/BSA_report.log
unidec/bin/Example Data/BSA_unidecfiles/BSA_report.pdf
unidec/bin/recent.txt
unidec/bin/Example Data/BSA_unidecfiles/BSA_chargepeaks.txt
unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/Extract_grid_2D_Extract.txt
unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/Extract_total_2D_Extract.txt
ExtractFull2D_Da.txt
extracts.txt
sums.txt
unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/POPC_Nanodiscs_chargepeaks.txt
unidec/bin/Example Data/BSA_unidecfiles/BSA_peak_areas.dat
ofile.dat
BSA_report.aux
BSA_report.log
BSA_report.out
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure1.eps
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure2.eps
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure3.eps
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure4.eps
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure5.eps
unidec/bin/Example Data/BSA_unidecfiles/BSA_Figure6.eps
unidec/bin/Example Data/BSA_unidecfiles/BSA_report.out
unidec/bin/Example Data/BSA_unidecfiles/BSA_composite_spectrum.dat

unidec/modules/thermo_reader/RawFileReader
unidec/modules/thermo_reader/RawFileReaderExample
unidec/bin/Example Data/POPC_Nanodiscs_unidecfiles/Peaks_Mass_Defects.txt
*.diagsession
unidec_src/UniDec/UniDec.common.settings
unidec/bin/recentCD.txt
Scripts/MTM/Old/ZoomBoxMargot.py
*.feather
unidec/bin/Other_builds.zip
unidec/bin/Example Data/CDMS/GroEL_CDMS_1_unidecfiles/GroEL_CDMS_1_input.dat
unidec/bin/Example Data/CDMS/GroEL_CDMS_1_unidecfiles/GroEL_CDMS_1_mass.txt
unidec/bin/Example Data/CDMS/GroEL_CDMS_1_unidecfiles/GroEL_CDMS_1_peaks.dat
unidec/bin/Example Data/CDMS/GroEL_CDMS_1_unidecfiles/GroEL_CDMS_1_rawdata.npz
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_error.txt
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_fitdat.bin
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_grid.bin
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_input.dat
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_mass.txt
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_massgrid.bin
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_peak_areas.dat
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_peaks.dat
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_rawdata.txt
unidec/bin/Presets/CDMS/Heck_CDMS_AAVs_120K_0148_slope
unidec/bin/Presets/CDMS/Heck_CDMS_AAVs_120k_0156
unidec/bin/Presets/CDMS/Heck_CDMS_AAVs_240K_02193_slope
unidec/bin/Presets/CDMS/Heck_CDMS_AAVs_240K_021_slope
unidec/bin/Example Data/CDMS/GroEL_CDMS_1_unidecfiles/GroEL_CDMS_1_fitdat.bin
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_Figure1.pdf
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_Figure2.pdf
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_Figure3.pdf
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_Figure4.pdf
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_Figure5.pdf
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_Figure6.pdf
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_report.aux
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_report.log
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_report.pdf
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_Figure1.pdf
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_Figure2.pdf
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_Figure3.pdf
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_Figure4.pdf
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_Figure5.pdf
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_Figure6.pdf
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_report.aux
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_report.log
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_report.pdf
unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_Figure1.pdf
unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_Figure2.pdf
unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_Figure3.pdf
unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_Figure4.pdf
unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_Figure5.pdf
unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_Figure6.pdf
unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_report.aux
unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_report.log
unidec/bin/Example Data/GroEL UniDec_unidecfiles/GroEL UniDec_report.pdf
unidec/bin/Example Data/BSA_unidecfiles/BSA_ofile_crazy.dat
unidec/bin/Example Data/BSA_unidecfiles/BSA_report.html
unidec_src/UniDec/test_match.bat
unidec/LipiDec/LipyDec.py
unidec/LipiDec/SkyQuant.py
docker_commands.txt
unidec/bin/Example Data/BSA_unidecfiles/BSA_conv.bin
.pypirc
UniDec.egg-info
distpypi
publish_test.cmd
unidec/bin/IUPAC-atomic-masses.csv
unidec/modules/hramools.py
unidec/src/x64/
unidec/src/.vs/
pyproject.toml
unidec/iFAMS/pyqtgraph/
unidec/iFAMS/iFAMS_V5_GUI.py
unidec/iFAMS/GuiTestFun.py
unidec/bin/TestSpectra/test_1_unidecfiles/
unidec/bin/Example Data/UniChrom/UniDec_Figures_and_Files/
.dockerignore
unidec/src/test_match.bat
unidec/bin/Example Data/BSA_unidecfiles/test.html
unidec/bin/Example Data/BSA_unidecfiles/BSA_baseline.bin
unidec/bin/Example Data/CDMS/GroEL_CDMS_1_unidecfiles/GroEL_CDMS_1_report.html
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_match.dat
PublicScripts/DIA-PTCR/IL22/glycan_compare_hist_and_spectrum.py
unidec/bin/Example Data/ADH_unidecfiles/ADH_chargepeaks.txt
unidec/bin/Example Data/BSA_unidecfiles/BSA_extracted_heights.txt
unidec/bin/Example Data/BSA_unidecfiles/BSA_extracted_intensities0.txt
unidec/bin/Example Data/BSA_unidecfiles/BSA_mzpeakdata.dat
unidec/bin/Example Data/BSA_unidecfiles/BSA_total_extracted_heights.txt
unidec/bin/Example Data/BSA_unidecfiles/Extract_grid_2D_Extract.txt
unidec/bin/Example Data/BSA_unidecfiles/Extract_total_2D_Extract.txt
unidec/bin/Example Data/UniChrom/SEC_Native_Herceptin_deconvolved.mzML
unidec/bin/Example Data/BSA_unidecfiles/BSA_smashfile.dat
unidec/bin/Example Data/CDMS/GroEL_CDMS_1_unidecfiles/GroEL_CDMS_1_smashfile.dat
unidec/bin/Example Data/ADHclean_unidecfiles/ADHclean_conv.bin
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_match.dat
unidec/bin/Example Data/GroEL HCD UniDec_unidecfiles/GroEL HCD UniDec_ofile.dat
unidec/bin/Presets/CDMS/LDL STORI dat.dat
unidec/src/UniDecLib/
unidec/bin/Example Data/CDMS/GroEL_CDMS_1_unidecfiles/GroEL_CDMS_1_extracted_intensities0.txt
unidec/bin/WiffReaderCOM.dll
unidec/bin/WiffReaderCOM.pdb
unidec/bin/WiffReaderCOM.tlb
hashing.py
PublicScripts/MutantCycleAnalysis/Mutant Cycle Analysis/
unidec/modules/gui_elements/UniDec.mplstyle


57 changes: 43 additions & 14 deletions GUniDec.spec
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Expand Up @@ -10,18 +10,43 @@ from multiprocessing import freeze_support
from os import listdir
from PyInstaller import compat
import matplotlib
import hashing
import sys
import hashlib


def hashfile(path):
# BUF_SIZE is totally arbitrary, change for your app!
BUF_SIZE = 65536 # lets read stuff in 64kb chunks!

md5 = hashlib.md5()
sha256 = hashlib.sha256()

with open(path, 'rb') as f:
while True:
data = f.read(BUF_SIZE)
if not data:
break
md5.update(data)
sha256.update(data)

md5hash = md5.hexdigest()
sha256hash = sha256.hexdigest()

print("MD5: {0}".format(md5hash))
print("SHA256: {0}".format(sha256hash))

return md5hash, sha256hash

freeze_support()


def dir_files(path, rel):
def dir_files(path, rel, type='DATA'):
ret = []
for p, d, f in os.walk(path):
relpath = p.replace(path, '')[1:]
for fname in f:
ret.append((os.path.join(rel, relpath, fname),
os.path.join(p, fname), 'DATA'))
os.path.join(p, fname), type))
return ret


Expand Down Expand Up @@ -66,24 +91,27 @@ if system == "Windows":
a.datas += [('CDCReader.exe', 'unidec\\bin\\CDCReader.exe', 'DATA')]
a.datas += [('h5repack.exe', 'unidec\\bin\\h5repack.exe', 'DATA')]
a.datas += [('unimod.sqlite', 'unidec\\bin\\unimod.sqlite', 'DATA')]
#a.datas += [('numpy/DLLs', 'unidec\\bin\\mkl_def.2.dll', 'BINARY')]
#a.datas += [('numpy/DLLs', 'unidec\\bin\\mkl_avx2.2.dll', 'BINARY')]
#a.datas += [('numpy/DLLs', 'unidec\\bin\\mkl_intel_thread.2.dll', 'BINARY')]
a.datas += [('pymzml\\version.txt', compat.base_prefix + '\\Lib\\site-packages\\pymzml\\version.txt', 'DATA')]
a.datas += [('massql\\msql.ebnf', compat.base_prefix + '\\Lib\\site-packages\\massql\\msql.ebnf', 'DATA')]

# Copy over all the DLLs from the bin folder
for file in os.listdir('unidec\\bin'):
if fnmatch.fnmatch(file, '*.dll'):
add = [(file, 'unidec\\bin\\' + file, 'DATA')]
add = [(file, 'unidec\\bin\\' + file, 'BINARY')]
a.datas += add
# print add

a.datas += [('RawFileReaderLicense.doc', 'unidec\\modules\\thermo_reader\\RawFileReaderLicense.doc', 'DATA')]
a.datas += [('ThermoFisher.CommonCore.Data.dll', 'unidec\\modules\\thermo_reader\\ThermoFisher.CommonCore.Data.dll', 'DATA')]
a.datas += [('ThermoFisher.CommonCore.RawFileReader.dll', 'unidec\\modules\\thermo_reader\\ThermoFisher.CommonCore.RawFileReader.dll', 'DATA')]
a.datas += [('ThermoFisher.CommonCore.MassPrecisionEstimator.dll', 'unidec\\modules\\thermo_reader\\ThermoFisher.CommonCore.MassPrecisionEstimator.dll', 'DATA')]
a.datas += [('ThermoFisher.CommonCore.BackgroundSubtraction.dll', 'unidec\\modules\\thermo_reader\\ThermoFisher.CommonCore.BackgroundSubtraction.dll', 'DATA')]
a.datas += [('RawFileReaderLicense.doc', 'unidec\\modules\\thermo_reader\\RawFileReaderLicense.doc', 'BINARY')]
a.datas += [('ThermoFisher.CommonCore.Data.dll', 'unidec\\modules\\thermo_reader\\ThermoFisher.CommonCore.Data.dll', 'BINARY')]
a.datas += [('ThermoFisher.CommonCore.RawFileReader.dll', 'unidec\\modules\\thermo_reader\\ThermoFisher.CommonCore.RawFileReader.dll', 'BINARY')]
a.datas += [('ThermoFisher.CommonCore.MassPrecisionEstimator.dll', 'unidec\\modules\\thermo_reader\\ThermoFisher.CommonCore.MassPrecisionEstimator.dll', 'BINARY')]
a.datas += [('ThermoFisher.CommonCore.BackgroundSubtraction.dll', 'unidec\\modules\\thermo_reader\\ThermoFisher.CommonCore.BackgroundSubtraction.dll', 'BINARY')]
a.datas += [('Waters_MassLynxSDK_EULA.txt', 'unidec\\bin\\Waters_MassLynxSDK_EULA.txt', 'DATA')]
elif system == "Linux":
a.datas += [('unideclinux', 'unidec/bin/unideclinux', 'DATA')]
a.datas += [('unideclinux', 'unidec/bin/unideclinux', 'BINARY')]

a.datas += [('cacert.pem', os.path.join('unidec\\bin', 'cacert.pem'), 'DATA')]
a.datas += [('logo.ico', 'unidec\\bin\\logo.ico', 'DATA')]
Expand All @@ -102,9 +130,10 @@ a.datas.extend(dir_files("unidec\\bin\\Example Data", 'Example Data'))
a.datas.extend(dir_files(compat.base_prefix + '\\Lib\\site-packages\\matchms\\data', "matchms\\data"))

mkldir = compat.base_prefix + "/Lib/site-packages/numpy/DLLs"
a.datas.extend(dir_files(mkldir, ''))
a.datas.extend(
[(mkldir + "/" + mkl, '', 'DATA') for mkl in listdir(mkldir) if mkl.startswith('mkl_') or mkl.startswith('libio')])
newdir = "numpy/DLLs"
a.datas.extend(dir_files(mkldir, newdir, type="BINARY"))
#a.datas.extend(
# [(mkldir + "/" + mkl, newdir, 'BINARY') for mkl in listdir(mkldir) if mkl.startswith('mkl_') or mkl.startswith('libio')])

rdkitlibs = compat.base_prefix + "/Lib/site-packages/rdkit.libs"
a.datas.extend(dir_files(rdkitlibs, ''))
Expand Down Expand Up @@ -149,7 +178,7 @@ for root, dirs, files in os.walk(outputdir):
zipf.close()
print("Zipped to", zipdirectory, "from", outputdir)

hashing.hashfile(zipdirectory)
hashfile(zipdirectory)

tend = time.perf_counter()
print("Build Time: %.2gm" % ((tend - tstart) / 60.0))
Empty file added PublicScripts/MutantCycleAnalysis/__init__.py
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2 changes: 1 addition & 1 deletion build.bat
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Expand Up @@ -10,5 +10,5 @@ rem update docs with .\unidec_doc\make.bat html
rem paste docs into UniDecDocumentation and push to git

echo "Building"
C:\Python310\Scripts\pyinstaller.exe GUniDec.spec --noconfirm
C:\Python311\Scripts\pyinstaller.exe GUniDec.spec --noconfirm
rem call "C:\Python\UniDec3\dist\UniDec_Windows\GUI_UniDec.exe"
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