{bio}[foss/2023a] pyTME v0.2.1, pyFFTW v0.13.1, PyWavelets v1.5.0 /w CUDA 12.1.1

easybuild/easyconfigs/p/PyWavelets/PyWavelets-1.5.0-foss-2023a.eb

@@ -0,0 +1,26 @@
+easyblock = 'PythonPackage'
+
+name = 'PyWavelets'
+version = '1.5.0'
+
+homepage = 'https://pywavelets.readthedocs.io'
+description = "PyWavelets is open source wavelet transform software for Python."
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+sources = [SOURCELOWER_TAR_GZ]
+checksums = ['d9e25c7cabef7ccd53f5fead26ab22152fe4cb937bad7411b5d506e2b5de38f6']
+
+builddependencies = [('meson-python', '0.13.2')]
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+]
+
+download_dep_fail = True
+use_pip = True
+sanity_pip_check = True
+
+options = {'modulename': 'pywt'}
+
+moduleclass = 'lib'

easybuild/easyconfigs/p/pyFFTW/pyFFTW-0.13.1-foss-2023a.eb

@@ -0,0 +1,26 @@
+easyblock = 'PythonPackage'
+
+name = 'pyFFTW'
+version = '0.13.1'
+
+homepage = 'https://github.com/pyFFTW/pyFFTW'
+description = """A pythonic wrapper around FFTW, the FFT library, presenting a unified interface
+ for all the supported transforms."""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+toolchainopts = {}
+
+sources = [SOURCE_TAR_GZ]
+checksums = ['09155e90a0c6d0c1f2d1f3668180a7de95fb9f83fef5137a112fb05978e87320']
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+]
+buildcmd = 'python setup.py build'
+runtest = True
+download_dep_fail = True
+use_pip = True
+sanity_pip_check = True
+
+moduleclass = 'lib'

easybuild/easyconfigs/p/pyTME/pyTME-0.2.1-foss-2023a-CUDA-12.1.1.eb

@@ -0,0 +1,67 @@
+# Thomas Hoffmann, EMBL Heidelberg, structures-it@embl.de, 2024/06
+#
+easyblock = 'PythonBundle'
+
+name = 'pyTME'
+version = '0.2.1'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://github.com/KosinskiLab/pyTME'
+description = """Python Template Matching Engine (PyTME)
+A software for template matching on electron microscopy data.
+"""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('CUDA', '12.1.1', '', SYSTEM),
+    ('SciPy-bundle', '2023.07'),
+    ('pyFFTW', '0.13.1'),
+    ('mrcfile', '1.5.0'),
+    ('PyYAML', '6.0'),
+    ('PyWavelets', '1.5.0'),
+    ('scikit-image', '0.22.0'),
+    ('scikit-learn', '1.3.1'),
+    ('CuPy', '13.0.0', versionsuffix),
+    ('PyTorch', '2.1.2', versionsuffix),
+    ('h5py', '3.9.0'),
+    ('napari', '0.4.19.post1'),
+]
+
+github_account = 'maurerv'
+
+_scripts_san = [
+    'estimate_ram_usage',
+    'estimate_ram_usage.py',
+    'match_template',
+    'match_template.py',
+    'postprocess',
+    'postprocess.py',
+    'preprocess',
+    'preprocess.py',
+    'preprocessor_gui.py'
+]
+_scripts_shebang = _scripts_san + ['preprocessor_gui']
+fix_python_shebang_for = ['bin/%s' % x for x in _scripts_shebang]
+exts_list = [
+    ('pytme', version, {
+        'modulename': 'tme',
+        'checksums': ['98b73dae02c9afdc92d3c5ca9f779f47aef0b8c4acaf926aab59213f615ce079'],
+    }),
+    ('napari-density-io', '1.0.0', {
+        'source_urls': ['https://github.com/%(github_account)s/%(name)s/archive'],
+        'sources': ['v%(version)s.tar.gz'],
+        'checksums': ['4f8e88045ecce37b49f019a2ff8b13c4cf82e24c10ea6d4a1ecf40e77c126c76'],
+    }),
+]
+
+use_pip = True
+sanity_pip_check = True
+sanity_check_commands = [
+    '%s --help' % x for x in _scripts_san
+] + [
+    'napari --plugin-info|grep napari-density-io'
+]
+
+moduleclass = 'bio'

test/easyconfigs/easyconfigs.py

@@ -660,8 +660,8 @@ def check_dep_vars(self, gen, dep, dep_vars):
             # for the sake of backwards compatibility, keep UCX-CUDA v1.11.0 which depends on UCX v1.11.0
             # (for 2021b, UCX was updated to v1.11.2)
             'UCX': [('1.11.0;', ['UCX-CUDA-1.11.0-'])],
-            # Napari 0.4.19post1 requires VisPy >=0.14.1 <0.15
-            'VisPy': [('0.14.1;', ['napari-0.4.19.post1-'])],
+            # Napari 0.4.19post1 requires VisPy >=0.14.1 <0.15; pyTME 0.2.0 requires same as napari
+            'VisPy': [('0.14.1;', ['napari-0.4.19.post1-', 'pyTME-0.2.1'])],
             # WPS 3.9.1 requires WRF 3.9.1.1
             'WRF': [(r'3\.9\.1\.1', [r'WPS-3\.9\.1'])],
             # wxPython 4.2.0 depends on wxWidgets 3.2.0