{tools}[foss/2021a] Panedr v0.7.0 w/ Python 3.9.5

easybuild/easyconfigs/p/Panedr/Panedr-0.7.0-foss-2021a.eb

@@ -0,0 +1,35 @@
+easyblock = 'PythonBundle'
+
+name = 'Panedr'
+version = '0.7.0'
+
+homepage = 'https://github.com/MDAnalysis/panedr'
+description = """Panedr uses the Pyedr library to read a Gromacs EDR binary
+energy XDR file and returns its contents as a pandas dataframe."""
+
+toolchain = {'name': 'foss', 'version': '2021a'}
+
+dependencies = [
+    ('Python', '3.9.5'),
+    ('SciPy-bundle', '2021.05'),
+    ('tqdm', '4.61.2'),
+]
+
+use_pip = True
+
+exts_list = [
+    ('pyedr', version, {
+        'checksums': ['2906fa86950a519ada711520cb18aa3bb49df5d992473f0c7b5359ba226c7ac2'],
+        # remove references to out-of-tree files
+        'preinstallopts': "sed -i '8,10d' setup.cfg && "
+    }),
+    ('panedr', version, {
+        'checksums': ['ef1f3163cd88ff5d69f9aabc1e5850a47cc5325d8421e57510bfa7cae5956838'],
+        # remove references to out-of-tree files
+        'preinstallopts': "sed -i '8,10d' setup.cfg && "
+    }),
+]
+
+sanity_pip_check = True
+
+moduleclass = 'tools'