Merge pull request easybuilders#19129 from Micket/20231101114830_new_…

…pr_DFT-D3320

{chem}[intel-compilers/2022.2.1] DFT-D3 v3.2.0

easybuild/easyconfigs/d/DFT-D3/DFT-D3-3.2.0-intel-compilers-2022.2.1.eb

@@ -0,0 +1,34 @@
+easyblock = 'MakeCp'
+
+name = 'DFT-D3'
+version = '3.2.0'
+
+homepage = 'https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3'
+description = """DFT-D3 implements a dispersion correction for density functionals, Hartree-Fock and semi-empirical
+ quantum chemical methods."""
+
+toolchain = {'name': 'intel-compilers', 'version': '2022.2.1'}
+
+source_urls = ['https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3']
+# Note that the DFT-D3 tarball is named as "dftd3.tgz" with no version
+# numbering. Also, the authors are prone (alas) to stealth upgrades, so that two
+# tarballs with the same version number can have different checksums. For this
+# reason, it is suggested to manually download and rename the tarball. The
+# checksum may also need updating from time to time.
+# Checksum last updated: 20 September 2018
+# Date tarball was reported to have been modified: 14 June 2016
+sources = [{'download_filename': 'dftd3.tgz', 'filename': SOURCELOWER_TGZ}]
+checksums = ['d97cf9758f61aa81fd85425448fbf4a6e8ce07c12e9236739831a3af32880f59']
+
+prebuildopts = "sed -i 's/OSTYPE=LINUXL/OSTYPE=LINUXI/' Makefile && "
+
+files_to_copy = [(['dftd3'], 'bin'), (['man.pdf'], 'doc')]
+
+sanity_check_paths = {
+    'files': ['bin/dftd3'],
+    'dirs': [],
+}
+
+sanity_check_commands = ['dftd3']
+
+moduleclass = 'chem'