Merge pull request easybuilders#21006 from lexming/20240714114451_new…

…_pr_ESIpy20240709

{chem}[foss/2022a] ESIpy v20240709

easybuild/easyconfigs/e/ESIpy/ESIpy-20240709-foss-2022a.eb

@@ -0,0 +1,40 @@
+easyblock = 'Tarball'
+
+name = 'ESIpy'
+version = '20240709'
+_commit = '206f863'
+
+homepage = 'https://github.com/jgrebol/ESIpy'
+description = """Program aimed at the calculation of population analysis and aromaticity
+indicators from different Hilbert space partitions."""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+
+sources = [
+    {
+        'source_urls': ['https://github.com/jgrebol/ESIpy/archive'],
+        'download_filename': '%s.tar.gz' % _commit,
+        'filename': SOURCE_TAR_GZ,
+    },
+]
+checksums = ['7f963f47558b26f545c8963b2191a78b5b2522347d78ee96f0462dccaa0b4f86']
+
+dependencies = [
+    ('Python', '3.10.4'),
+    ('PySCF', '2.1.1'),
+]
+
+sanity_check_paths = {
+    'files': ['esi.py'],
+    'dirs': ['utils', 'examples'],
+}
+
+sanity_check_commands = [
+    "python -c 'import esi'",
+]
+
+modextrapaths = {
+    'PYTHONPATH': '',
+}
+
+moduleclass = 'chem'