From 4a9212dd36736e13a27cf0f9f0fc7e0ebdaf3918 Mon Sep 17 00:00:00 2001
From: Lukas Krupcik <lukas.krupcik@vsb.cz>
Date: Fri, 28 Mar 2025 10:07:03 +0100
Subject: [PATCH] deleted:
v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0-test.eb
---
...VASP-6.4.3-intel-2022b-libxc-7.0.0-test.eb | 67 -------------------
1 file changed, 67 deletions(-)
delete mode 100644 v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0-test.eb
diff --git a/v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0-test.eb b/v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0-test.eb
deleted file mode 100644
index 4fd813b2..00000000
--- a/v/VASP/VASP-6.4.3-intel-2022b-libxc-7.0.0-test.eb
+++ /dev/null
@@ -1,67 +0,0 @@
-# IT4Innovations
-# LK 2025
-
-easyblock = 'MakeCp'
-
-name = 'VASP'
-version = '6.4.3'
-versionsuffix = '-libxc-7.0.0-test'
-
-homepage = 'http://www.vasp.at'
-docurls = 'https://www.vasp.at/wiki/index.php/The_VASP_Manual'
-description = """The Vienna Ab initio Simulation Package (VASP) is a local computer program for atomic scale
-materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics,
-from first principles.
-
-To use VASP, you need an academic license from University of Vienna. Follow the instructions at https://www.vasp.at/index.php/faqs.
-
-Please send us a list of authorized users and their IDs for which you need access (use only http://support.it4i.cz/rt). We are responsible for verifying your licenses."""
-
-toolchain = {'name': 'intel', 'version': '2022b'}
-
-# Vasp is proprietary software, see http://www.vasp.at/index.php/faqs on
-# how to get access to the code
-sources = ['%(namelower)s.%(version)s.tgz']
-patches = ['VASP-%(version)s-intel-hdf5.patch']
-checksums = [
- {'vasp.%(version)s.tgz': 'fe30e773f2a3e909b5e0baa9654032dfbdeff7ec157bc348cee7681a7b6c24f4'},
- {'VASP-%(version)s-intel-hdf5.patch': '527fb3ae96d9b431aa5aa2c93355d3efe8350ab9b8c2d52e300a89c93f9e88d9'},
-]
-
-# use serial compilation of W90, see https://www.vasp.at/wiki/index.php/Makefile.include#Wannier90_.28optional.29
-# Important: In case of Wannier90 3.x, you should compile a serial version by removing COMMS=mpi in the make.inc of Wannier90.
-dependencies = [
- ('HDF5', '1.14.0'),
- ('Wannier90', '3.1.0', '-serial'),
- ('libxc', '7.0.0', '-intel-compilers-2022.2.1-nofhc', True),
-]
-
-prebuildopts = 'cp arch/makefile.include.intel ./makefile.include && '
-
-# AMD/Intel CPU switch - We set xHost by default; change it to -march=core-avx2 when necessary
-import os
-if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
- prebuildopts += 'sed -i "s|-xHOST|-march=core-avx2|" makefile.include && '
- prebuildopts += 'sed -i "s|-march=xHost|-march=core-avx2|" makefile.include && '
-
-# compile with libxc
-prebuildopts += 'echo "CPP_OPTIONS += -DUSELIBXC" >> makefile.include && '
-prebuildopts += 'echo "LIBXC_ROOT ?= $EBROOTLIBXC" >> makefile.include && '
-prebuildopts += 'echo "LLIBS += -L$(LIBXC_ROOT)/lib -lxcf03 -lxc" >> makefile.include && '
-prebuildopts += 'echo "INCS += -I$(LIBXC_ROOT)/include" >> makefile.include && '
-
-# VASP uses LIBS as a list of folders
-prebuildopts += 'unset LIBS && '
-
-buildopts = 'std gam ncl '
-
-parallel = 1
-
-files_to_copy = [(['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'], 'bin')]
-sanity_check_paths = {
- 'files': ['bin/vasp_std', 'bin/vasp_gam', 'bin/vasp_ncl'],
- 'dirs': []
-}
-modluafooter = 'add_property("state","license")'
-
-moduleclass = 'chem'