Merge branch 'develop' of https://github.com/easybuilders/easybuild-e…

…asyconfigs into 20231005231211_new_pr_PyMC590

easybuild/easyconfigs/a/ArviZ/ArviZ-0.16.1-foss-2023a.eb

@@ -0,0 +1,35 @@
+easyblock = 'PythonBundle'
+
+name = 'ArviZ'
+version = '0.16.1'
+
+homepage = 'https://github.com/arviz-devs/arviz'
+description = "Exploratory analysis of Bayesian models with Python"
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),  # numpy, scipy, pandas
+    ('netcdf4-python', '1.6.4'),
+    ('xarray', '2023.9.0'),
+    ('matplotlib', '3.7.2'),
+    ('h5netcdf', '1.2.0'),
+]
+
+use_pip = True
+
+exts_list = [
+    ('xarray-einstats', '0.6.0', {
+        'sources': ['xarray_einstats-%(version)s.tar.gz'],
+        'checksums': ['ace90601505cfbe2d374762e674557ed14e1725b024823372f7ef9fd237effad'],
+    }),
+    (name, version, {
+        'sources': ['%(namelower)s-%(version)s.tar.gz'],
+        'checksums': ['35bab9072f66f5a8204d2a71911d09ce05056c177f1a780de53efa2714c27575'],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'math'

easybuild/easyconfigs/h/h5netcdf/h5netcdf-1.2.0-foss-2023a.eb

@@ -0,0 +1,28 @@
+easyblock = 'PythonBundle'
+
+name = 'h5netcdf'
+version = '1.2.0'
+
+homepage = 'https://h5netcdf.org/'
+description = """A Python interface for the netCDF4 file-format that reads and writes local or
+remote HDF5 files directly via h5py or h5pyd, without relying on the Unidata
+netCDF library."""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('h5py', '3.9.0'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    (name, version, {
+        'checksums': ['7f6b2733bde06ea2575b79a6450d9bd5c38918ff4cb2a355bf22bbe8c86c6bcf'],
+        'preinstallopts': """sed -i 's/^dynamic = .*/version = "%(version)s"/g' pyproject.toml && """,
+    }),
+]
+
+moduleclass = 'data'

easybuild/easyconfigs/i/imutils/imutils-0.5.4-fosscuda-2020b.eb

@@ -0,0 +1,26 @@
+easyblock = 'PythonPackage'
+
+name = 'imutils'
+version = '0.5.4'
+
+homepage = 'https://github.com/jrosebr1/imutils'
+description = """A series of convenience functions to make basic image processing operations such as translation,
+rotation, resizing, skeletonization, and displaying Matplotlib images easier with OpenCV and Python."""
+
+toolchain = {'name': 'fosscuda', 'version': '2020b'}
+
+sources = [SOURCE_TAR_GZ]
+checksums = ['03827a9fca8b5c540305c0844a62591cf35a0caec199cb0f2f0a4a0fb15d8f24']
+
+dependencies = [
+    ('Python', '3.8.6'),
+    ('SciPy-bundle', '2020.11'),
+    ('OpenCV', '4.5.1', '-contrib'),
+]
+
+download_dep_fail = True
+use_pip = True
+
+sanity_pip_check = True
+
+moduleclass = 'vis'

easybuild/easyconfigs/l/libedit/libedit-20210910-GCCcore-10.3.0.eb

@@ -0,0 +1,27 @@
+easyblock = 'ConfigureMake'
+
+name = 'libedit'
+version = '20210910'
+
+homepage = 'https://thrysoee.dk/editline/'
+description = """
+This BSD-style licensed command line editor library provides generic line editing,
+history, and tokenization functions, similar to those found in GNU Readline.
+"""
+
+toolchain = {'name': 'GCCcore', 'version': '10.3.0'}
+
+source_urls = ['https://thrysoee.dk/editline/']
+sources = ['%(namelower)s-%(version)s-3.1.tar.gz']
+checksums = ['6792a6a992050762edcca28ff3318cdb7de37dccf7bc30db59fcd7017eed13c5']
+
+builddependencies = [('binutils', '2.36.1')]
+
+dependencies = [('ncurses', '6.2')]
+
+sanity_check_paths = {
+    'files': ['include/editline/readline.h', 'lib/libedit.%s' % SHLIB_EXT, 'lib/libedit.a'],
+    'dirs': []
+}
+
+moduleclass = 'lib'

easybuild/easyconfigs/n/netcdf4-python/netcdf4-python-1.6.4-foss-2023a.eb

@@ -0,0 +1,57 @@
+easyblock = 'PythonBundle'
+
+name = 'netcdf4-python'
+version = '1.6.4'
+
+homepage = 'https://unidata.github.io/netcdf4-python/'
+description = """Python/numpy interface to netCDF."""
+
+toolchain = {'name': 'foss', 'version': '2023a'}
+toolchainopts = {'usempi': True}
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+    ('netCDF', '4.9.2'),
+    ('cURL', '8.0.1'),
+    ('mpi4py', '3.1.4'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    ('cftime', '1.6.2', {
+        'checksums': ['8614c00fb8a5046de304fdd86dbd224f99408185d7b245ac6628d0276596e6d2'],
+    }),
+    (name, version, {
+        'patches': [
+            'netcdf4-python-1.1.8-avoid-diskless-test.patch',
+            'netcdf4-python-1.6.1_relax_tolerance_compression_test.patch',
+        ],
+        'source_tmpl': 'netCDF4-%(version)s.tar.gz',
+        'source_urls': ['https://pypi.python.org/packages/source/n/netCDF4'],
+        'checksums': [
+            {'netCDF4-1.6.4.tar.gz': '66da6542cbc7a6045cd1d979397dfd5a3f6c880c76d52b8f98bb108c82ee8c6e'},
+            {'netcdf4-python-1.1.8-avoid-diskless-test.patch':
+             'a8b262fa201d55f59015e1bc14466c1d113f807543bc1e05a22481ab0d216d72'},
+            {'netcdf4-python-1.6.1_relax_tolerance_compression_test.patch':
+             '64d192a5d1e3e00af78f053da78f5a35015fa713c7f97b10b622be6a44347166'},
+        ],
+    }),
+]
+
+fix_python_shebang_for = ['bin/*']
+
+sanity_check_paths = {
+    'files': ['bin/nc3tonc4', 'bin/nc4tonc3', 'bin/ncinfo'],
+    'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+sanity_check_commands = [
+    "nc4tonc3 --help",
+    "nc3tonc4 --help",
+    "ncinfo --help",
+]
+
+moduleclass = 'data'

easybuild/easyconfigs/p/PyTensor/PyTensor-2.17.1-gfbf-2023a.eb

@@ -0,0 +1,51 @@
+easyblock = 'PythonBundle'
+
+name = 'PyTensor'
+version = '2.17.1'
+
+homepage = 'https://github.com/pymc-devs/pytensor'
+description = "Optimizing compiler for evaluating mathematical expressions on CPUs and GPUs"
+
+toolchain = {'name': 'gfbf', 'version': '2023a'}
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    ('cons', '0.4.6', {
+        'checksums': ['669fe9d5ee916d5e42b9cac6acc911df803d04f2e945c1604982a04d27a29b47'],
+    }),
+    ('multipledispatch', '1.0.0', {
+        'checksums': ['5c839915465c68206c3e9c473357908216c28383b425361e5d144594bf85a7e0'],
+    }),
+    ('etuples', '0.3.9', {
+        'checksums': ['a474e586683d8ba8d842ba29305005ceed1c08371a4b4b0e0e232527137e5ea3'],
+    }),
+    ('toolz', '0.12.0', {
+        'checksums': ['88c570861c440ee3f2f6037c4654613228ff40c93a6c25e0eba70d17282c6194'],
+    }),
+    ('logical-unification', '0.4.6', {
+        'checksums': ['908435123f8a106fa4dcf9bf1b75c7beb309fa2bbecf277868af8f1c212650a0'],
+        'modulename': 'unification',
+    }),
+    ('miniKanren', '1.0.3', {
+        'checksums': ['1ec8bdb01144ad5e8752c7c297fb8a122db920f859276d25a72d164e998d7f6e'],
+        'modulename': 'kanren',
+    }),
+    (name, version, {
+        'sources': ['pytensor-%(version)s.tar.gz'],
+        'checksums': ['64855a453b945c52d674086f1d160a35e910efbf13693dfaf0c39e92d474a851'],
+    }),
+]
+
+sanity_check_paths = {
+    'files': ['bin/pytensor-cache'],
+    'dirs': ['lib/python%(pyshortver)s/site-packages'],
+}
+
+moduleclass = 'math'

easybuild/easyconfigs/r/R/R-4.2.2-foss-2022b.eb

@@ -3666,6 +3666,9 @@ exts_list = [
     ('flextable', '0.9.2', {
         'checksums': ['bccd53919ae58f1d26c4a8ee42da1f5e0b7333f8b4ee295b380ed256069f923d'],
     }),
+    ('ridge', '3.3', {
+        'checksums': ['5c2daecf6f97aa099ef5fa54f8448518c4f2ed6e44dd29fc60621a70721c60f5'],
+    }),
 ]
 
 moduleclass = 'lang'

easybuild/easyconfigs/r/rasterstats/rasterstats-0.19.0-foss-2022a.eb

@@ -0,0 +1,35 @@
+easyblock = 'PythonBundle'
+
+name = 'rasterstats'
+version = '0.19.0'
+
+homepage = 'https://github.com/perrygeo/python-rasterstats'
+description = "rasterstats is a Python module for summarizing geospatial raster datasets based on vector geometries."
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+
+dependencies = [
+    ('Python', '3.10.4'),
+    ('SciPy-bundle', '2022.05'),
+    ('Shapely', '1.8.2'),
+    ('Fiona', '1.8.21'),
+    ('rasterio', '1.3.4'),
+]
+
+use_pip = True
+
+exts_list = [
+    ('affine', '2.3.1', {
+        'checksums': ['d676de66157ad6af99ffd94e0f54e89dfc35b0fb7252ead2ed0ad2dca431bdd0'],
+    }),
+    ('cligj', '0.7.2', {
+        'checksums': ['a4bc13d623356b373c2c27c53dbd9c68cae5d526270bfa71f6c6fa69669c6b27'],
+    }),
+    (name, version, {
+        'checksums': ['066c44feb6f3936804a0c79d112271fa5bf5de0d5058823ab5c1e0047ab7bbbc'],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'geo'

easybuild/easyconfigs/u/uncertainties/uncertainties-3.1.7-foss-2021b.eb

@@ -0,0 +1,27 @@
+easyblock = 'PythonBundle'
+
+name = 'uncertainties'
+version = '3.1.7'
+
+homepage = 'http://uncertainties-python-package.readthedocs.io'
+description = """Transparent calculations with uncertainties on the quantities involved (aka error propagation);
+ fast calculation of derivatives"""
+
+toolchain = {'name': 'foss', 'version': '2021b'}
+
+dependencies = [
+    ('Python', '3.9.6'),
+    ('SciPy-bundle', '2021.10'),
+]
+
+use_pip = True
+
+exts_list = [
+    (name, version, {
+        'checksums': ['80111e0839f239c5b233cb4772017b483a0b7a1573a581b92ab7746a35e6faab'],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'lib'

easybuild/easyconfigs/x/xarray/xarray-2023.9.0-gfbf-2023a.eb

@@ -0,0 +1,28 @@
+easyblock = 'PythonBundle'
+
+name = 'xarray'
+version = '2023.9.0'
+
+homepage = 'https://github.com/pydata/xarray'
+description = """xarray (formerly xray) is an open source project and Python package that aims to bring
+ the labeled data power of pandas to the physical sciences, by providing N-dimensional variants of the
+ core pandas data structures."""
+
+toolchain = {'name': 'gfbf', 'version': '2023a'}
+
+dependencies = [
+    ('Python', '3.11.3'),
+    ('SciPy-bundle', '2023.07'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    (name, version, {
+        'checksums': ['271955c05dc626dad37791a7807d920aaf9c64cac71d03b45ec7e402cc646603'],
+        'preinstallopts': """sed -i 's/^dynamic = .*version.*/version = "%(version)s"/g' pyproject.toml && """,
+    }),
+]
+
+moduleclass = 'data'