diff --git a/misc/bumpversion.cfg b/misc/bumpversion.cfg index 4ea625f..00953de 100644 --- a/misc/bumpversion.cfg +++ b/misc/bumpversion.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 0.0.6 +current_version = 0.0.7 commit = True tag = False parse = (?P\d+)\.(?P\d+)\.(?P\d+)(\-(?P[a-z]+)(?P\d+))? diff --git a/release/one_click_linux_gui/control b/release/one_click_linux_gui/control index 40a42bc..758c6c3 100644 --- a/release/one_click_linux_gui/control +++ b/release/one_click_linux_gui/control @@ -1,5 +1,5 @@ Package: structuremap -Version: 0.0.6 +Version: 0.0.7 Architecture: all Maintainer: Mann Labs Description: structuremap diff --git a/release/one_click_linux_gui/create_installer_linux.sh b/release/one_click_linux_gui/create_installer_linux.sh index c62198e..07e13f6 100644 --- a/release/one_click_linux_gui/create_installer_linux.sh +++ b/release/one_click_linux_gui/create_installer_linux.sh @@ -17,7 +17,7 @@ python setup.py sdist bdist_wheel # Setting up the local package cd release/one_click_linux_gui # Make sure you include the required extra packages and always use the stable or very-stable options! -pip install "../../dist/structuremap-0.0.6-py3-none-any.whl[stable]" +pip install "../../dist/structuremap-0.0.7-py3-none-any.whl[stable]" # Creating the stand-alone pyinstaller folder pip install pyinstaller==4.2 diff --git a/release/one_click_macos_gui/Info.plist b/release/one_click_macos_gui/Info.plist index ea295f0..e771600 100644 --- a/release/one_click_macos_gui/Info.plist +++ b/release/one_click_macos_gui/Info.plist @@ -9,9 +9,9 @@ CFBundleIconFile alpha_logo.icns CFBundleIdentifier - structuremap.0.0.6 + structuremap.0.0.7 CFBundleShortVersionString - 0.0.6 + 0.0.7 CFBundleInfoDictionaryVersion 6.0 CFBundleName diff --git a/release/one_click_macos_gui/create_installer_macos.sh b/release/one_click_macos_gui/create_installer_macos.sh index 3dd80dc..7b86d2e 100644 --- a/release/one_click_macos_gui/create_installer_macos.sh +++ b/release/one_click_macos_gui/create_installer_macos.sh @@ -20,7 +20,7 @@ python setup.py sdist bdist_wheel # Setting up the local package cd release/one_click_macos_gui -pip install "../../dist/structuremap-0.0.6-py3-none-any.whl[stable]" +pip install "../../dist/structuremap-0.0.7-py3-none-any.whl[stable]" # Creating the stand-alone pyinstaller folder pip install pyinstaller==4.2 @@ -40,5 +40,5 @@ cp ../../LICENSE.txt Resources/LICENSE.txt cp ../logos/alpha_logo.png Resources/alpha_logo.png chmod 777 scripts/* -pkgbuild --root dist/structuremap --identifier de.mpg.biochem.structuremap.app --version 0.0.6 --install-location /Applications/structuremap.app --scripts scripts structuremap.pkg +pkgbuild --root dist/structuremap --identifier de.mpg.biochem.structuremap.app --version 0.0.7 --install-location /Applications/structuremap.app --scripts scripts structuremap.pkg productbuild --distribution distribution.xml --resources Resources --package-path structuremap.pkg dist/structuremap_gui_installer_macos.pkg diff --git a/release/one_click_macos_gui/distribution.xml b/release/one_click_macos_gui/distribution.xml index 3fe224c..997595b 100644 --- a/release/one_click_macos_gui/distribution.xml +++ b/release/one_click_macos_gui/distribution.xml @@ -1,6 +1,6 @@ - structuremap 0.0.6 + structuremap 0.0.7 diff --git a/release/one_click_windows_gui/create_installer_windows.sh b/release/one_click_windows_gui/create_installer_windows.sh index a630108..51bea2e 100644 --- a/release/one_click_windows_gui/create_installer_windows.sh +++ b/release/one_click_windows_gui/create_installer_windows.sh @@ -17,7 +17,7 @@ python setup.py sdist bdist_wheel # Setting up the local package cd release/one_click_windows_gui # Make sure you include the required extra packages and always use the stable or very-stable options! -pip install "../../dist/structuremap-0.0.6-py3-none-any.whl[stable]" +pip install "../../dist/structuremap-0.0.7-py3-none-any.whl[stable]" # Creating the stand-alone pyinstaller folder pip install pyinstaller==4.2 diff --git a/release/one_click_windows_gui/structuremap_innoinstaller.iss b/release/one_click_windows_gui/structuremap_innoinstaller.iss index ad3c9b8..28f89f0 100644 --- a/release/one_click_windows_gui/structuremap_innoinstaller.iss +++ b/release/one_click_windows_gui/structuremap_innoinstaller.iss @@ -2,7 +2,7 @@ ; SEE THE DOCUMENTATION FOR DETAILS ON CREATING INNO SETUP SCRIPT FILES! #define MyAppName "structuremap" -#define MyAppVersion "0.0.6" +#define MyAppVersion "0.0.7" #define MyAppPublisher "Max Planck Institute of Biochemistry and the University of Copenhagen, Mann Labs" #define MyAppURL "https://github.com/MannLabs/structuremap" #define MyAppExeName "structuremap_gui.exe" diff --git a/structuremap/__init__.py b/structuremap/__init__.py index 97f6ec3..0692aed 100644 --- a/structuremap/__init__.py +++ b/structuremap/__init__.py @@ -2,7 +2,7 @@ __project__ = "structuremap" -__version__ = "0.0.6" +__version__ = "0.0.7" __license__ = "Apache" __description__ = "An open-source Python package of the AlphaPept ecosystem" __author__ = "Isabell Bludau & Mann Labs" diff --git a/structuremap/processing.py b/structuremap/processing.py index c93d543..688be85 100644 --- a/structuremap/processing.py +++ b/structuremap/processing.py @@ -154,14 +154,28 @@ def download_alphafold_pae( data = json.loads(tmp_pae_file.read()) dist = np.array(data[0]['distance']) data_list = [('dist', dist)] - with h5py.File(name_out, 'w') as hdf_root: - for key, data in data_list: - hdf_root.create_dataset( - name=key, - data=data, - compression="lzf", - shuffle=True, - ) + if getattr(sys, 'frozen', False): + print('Using frozen h5py w/ gzip compression') + with h5py.File(name_out, 'w') as hdf_root: + for key, data in data_list: + print(f'h5py {key}') + hdf_root.create_dataset( + name=key, + data=data, + compression="gzip", + shuffle=True, + ) + print('Done') + else: + with h5py.File(name_out, 'w') as hdf_root: + for key, data in data_list: + hdf_root.create_dataset( + name=key, + data=data, + compression="lzf", + shuffle=True, + ) + valid_proteins.append(protein) except urllib.error.HTTPError: if verbose_log: