{math,phys}[foss/2021a] Arrow v6.0.1, boost_histogram v1.2.1, georges v2019.2, LMfit v1.0.3, plotly.py v,4.14.3, Zgoubi v6.0.2 w/ Python 3.9.5

easybuild/easyconfigs/a/Arrow/Arrow-6.0.1-foss-2021a.eb

@@ -0,0 +1,59 @@
+easyblock = 'CMakeMake'
+
+name = 'Arrow'
+version = '6.0.1'
+
+homepage = 'https://arrow.apache.org'
+description = """Apache Arrow (incl. PyArrow Python bindings), a cross-language development platform
+ for in-memory data."""
+
+toolchain = {'name': 'foss', 'version': '2021a'}
+
+source_urls = ['https://archive.apache.org/dist/%(namelower)s/%(namelower)s-%(version)s']
+sources = ['apache-arrow-%(version)s.tar.gz']
+checksums = ['3786b3d2df954d078b3e68f98d2e5aecbaa3fa2accf075d7a3a13c187b9c5294']
+
+builddependencies = [
+    ('CMake', '3.20.1'),
+    ('Autotools', '20210128'),
+    ('flex', '2.6.4'),
+    ('Bison', '3.7.6'),
+    ('pkg-config', '0.29.2'),
+]
+
+# Arrow strongly prefers included jemalloc, so not including it as a dependency
+dependencies = [
+    ('Python', '3.9.5'),
+    ('SciPy-bundle', '2021.05'),
+    ('Boost', '1.76.0'),
+]
+
+separate_build_dir = True
+start_dir = 'cpp'
+
+# see https://arrow.apache.org/docs/python/development.html
+configopts = "-DARROW_PYTHON=on -DARROW_PARQUET=ON -DARROW_WITH_SNAPPY=ON "
+configopts += "-DCMAKE_INSTALL_LIBDIR=lib"
+
+# also install Python bindings
+local_install_pyarrow_cmds = "export PKG_CONFIG_PATH=%(installdir)s/lib/pkgconfig:$PKG_CONFIG_PATH && "
+local_install_pyarrow_cmds += "export PYTHONPATH=%(installdir)s/lib/python%(pyshortver)s/site-packages:$PYTHONPATH && "
+local_install_pyarrow_cmds += "cd %(builddir)s/*arrow-%(version)s/python && export XDG_CACHE_HOME=$TMPDIR && "
+local_install_pyarrow_cmds += "sed -i 's/numpy==[0-9.]*/numpy/g' pyproject.toml && "
+local_install_pyarrow_cmds += "PYARROW_WITH_PARQUET=1 pip install --prefix %(installdir)s ."
+postinstallcmds = [local_install_pyarrow_cmds]
+
+modextrapaths = {'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages'}
+
+sanity_check_paths = {
+    'files': ['lib/libarrow.a', 'lib/libarrow.%s' % SHLIB_EXT,
+              'lib/libarrow_python.a', 'lib/libarrow_python.%s' % SHLIB_EXT],
+    'dirs': ['include/arrow', 'lib/cmake/arrow', 'lib/pkgconfig', 'lib/python%(pyshortver)s/site-packages'],
+}
+
+sanity_check_commands = [
+    "python -c 'import pyarrow'",
+    "python -c 'import pyarrow.parquet'",
+]
+
+moduleclass = 'data'

easybuild/easyconfigs/b/boost_histogram/boost_histogram-1.2.1-foss-2021a.eb

@@ -0,0 +1,28 @@
+easyblock = 'PythonBundle'
+
+name = 'boost_histogram'
+version = '1.2.1'
+
+homepage = 'https://pypi.org/project/boost-histogram/'
+description = """This is one of the fastest libraries for histogramming, 
+while still providing the power of a full histogram object"""
+
+toolchain = {'name': 'foss', 'version': '2021a'}
+
+dependencies = [
+    ('Python', '3.9.5'),
+    ('SciPy-bundle', '2021.05'),
+    ('pybind11', '2.6.2'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    (name, version, {
+        'source_tmpl': '%(namelower)s-%(version)s.tar.gz',
+        'checksums': ['a27842b2f1cfecc509382da2b25b03056354696482b38ec3c0220af0fc9b7579'],
+    }),
+]
+
+moduleclass = 'math'

easybuild/easyconfigs/g/georges/georges-2019.2-foss-2021a.eb

@@ -0,0 +1,45 @@
+easyblock = 'PythonBundle'
+
+name = 'georges'
+version = '2019.2'
+
+homepage = 'https://github.com/ULB-Metronu/georges'
+description = """Georges the lemur opinionated particle accelerator modeling Python package.
+Also a thin wrapper over MAD-X/PTC, BDSim and G4Beamline."""
+
+toolchain = {'name': 'foss', 'version': '2021a'}
+
+builddependencies = [
+    ('pkg-config', '0.29.2'),
+]
+
+dependencies = [
+    ('Python', '3.9.5'),
+    ('SciPy-bundle', '2021.05'),
+    ('LMfit', '1.0.3'),
+    ('matplotlib', '3.4.2'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    ('mistune', '0.8.4', {
+        'checksums': ['59a3429db53c50b5c6bcc8a07f8848cb00d7dc8bdb431a4ab41920d201d4756e'],
+    }),
+    ('m2r', '0.2.1', {
+        'checksums': ['bf90bad66cda1164b17e5ba4a037806d2443f2a4d5ddc9f6a5554a0322aaed99'],
+    }),
+    ('pyDOE', '0.3.8', {
+        'modulename': '%(name)s',
+        'source_tmpl': '%(name)s-%(version)s.zip',
+        'checksums': ['cbd6f14ae26d3c9f736013205f53ea1191add4567033c3ee77b7dd356566c4b6'],
+    }),
+    (name, version, {
+        'source_tmpl': '%(version)s.tar.gz',
+        'source_urls': ['https://github.com/ULB-Metronu/georges/archive/'],
+        'checksums': ['5801c0655101e46401f4c052edc72e1dbf278fca76acf66a3ee3b10820527276'],
+    }),
+]
+
+moduleclass = 'phys'

easybuild/easyconfigs/l/LMfit/LMfit-1.0.3-foss-2021a.eb

@@ -0,0 +1,33 @@
+easyblock = 'PythonBundle'
+
+name = 'LMfit'
+version = '1.0.3'
+
+homepage = 'https://lmfit.github.io/lmfit-py'
+description = """Lmfit provides a high-level interface to non-linear optimization
+and curve fitting problems for Python"""
+
+toolchain = {'name': 'foss', 'version': '2021a'}
+
+dependencies = [
+    ('Python', '3.9.5'),
+    ('SciPy-bundle', '2021.05'),
+]
+
+use_pip = True
+sanity_pip_check = True
+
+exts_list = [
+    ('asteval', '0.9.25', {
+        'checksums': ['bea22b7d8fa16bcba95ebc72052ae5d8ca97114c9959bb47f8b8eebf30e4342f'],
+    }),
+    ('uncertainties', '3.1.6', {
+        'checksums': ['7c4db5aaafd227e95485b61fba5d235dc8133aeecd98f8fc1224c038ce063e2d'],
+    }),
+    (name, version, {
+        'source_tmpl': '%(namelower)s-%(version)s.tar.gz',
+        'checksums': ['d067c3ea501f035af5d3c079e6e6e35dc3cc1ac7d439429a425b0aeb5a7858a2'],
+    }),
+]
+
+moduleclass = 'math'

easybuild/easyconfigs/p/plotly.py/plotly.py-4.14.3-GCCcore-10.3.0.eb

@@ -0,0 +1,30 @@
+easyblock = 'PythonBundle'
+
+name = 'plotly.py'
+version = '4.14.3'
+
+homepage = 'https://plot.ly/python'
+description = "An open-source, interactive graphing library for Python"
+
+toolchain = {'name': 'GCCcore', 'version': '10.3.0'}
+
+builddependencies = [
+    ('binutils', '2.36.1'),
+]
+
+dependencies = [('Python', '3.9.5')]
+
+use_pip = True
+
+exts_list = [
+    ('retrying', '1.3.3', {
+        'checksums': ['08c039560a6da2fe4f2c426d0766e284d3b736e355f8dd24b37367b0bb41973b'],
+    }),
+    ('plotly', version, {
+        'checksums': ['7d8aaeed392e82fb8e0e48899f2d3d957b12327f9d38cdd5802bc574a8a39d91'],
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'vis'

easybuild/easyconfigs/z/Zgoubi/Zgoubi-6.0.2-GCCcore-10.3.0.eb

@@ -0,0 +1,32 @@
+easyblock = 'MakeCp'
+
+name = 'Zgoubi'
+version = '6.0.2'
+
+homepage = 'https://zgoubi.sourceforge.io'
+description = """Zgoubi is a ray-tracing code in use for charged particle beam dynamics simulations. 
+It can simulate beam dynamics in a large variety of machines and optical systems."""
+
+toolchain = {'name': 'GCCcore', 'version': '10.3.0'}
+
+builddependencies = [
+    ('GCC', '10.3.0'),
+]
+
+source_urls = ['https://sourceforge.net/projects/zgoubi/files/zgoubi/']
+sources = ['%(version)s/zgoubi-%(version)s.tar.bz2']
+checksums = ['0b0f3d28496edbf7be868c24b0c927b7f1bc88cc29df9c235d9b28dc933489e0']
+
+prebuildopts = 'cp Makefile_zgoubi_gfortran Makefile &&'
+prebuildopts += "sed -i '/guide/d' Makefile &&"
+
+buildopts = ' FFLAGS="$FFLAGS -fno-automatic -pedantic -cpp" CFLAGS="$CXXFLAGS -DGFORTRAN4"'
+
+files_to_copy = [(['zgoubi/zgoubi', 'zpop/zpop'], 'bin')]
+
+sanity_check_paths = {
+    'files': ["bin/zgoubi", "bin/zpop"],
+    'dirs': [],
+}
+
+moduleclass = 'phys'