11# This build enables both HDF5 and Wannier-90, both are optional but recommended
22# It also upgrades the build to Intel's OneAPI
3- # Furthermore, it sets the vdw_kernel as an external file (courtesy of Mikael Öhman)
3+ # Furthermore, it sets the vdw_kernel as an external file (courtesy of Mikael Öhman)
44# Author: J. Saßmannshausen (Imperial College London/UK)
55
66easyblock = 'MakeCp'
@@ -9,8 +9,8 @@ name = 'VASP'
99version = '6.4.3'
1010
1111homepage = 'http://www.vasp.at'
12- description = """The Vienna Ab initio Simulation Package (VASP) is a
13- computer program for atomic scale materials modelling, e.g. electronic
12+ description = """The Vienna Ab initio Simulation Package (VASP) is a
13+ computer program for atomic scale materials modelling, e.g. electronic
1414structure calculations and quantum-mechanical molecular dynamics,
1515from first principles.
1616
@@ -56,8 +56,8 @@ buildopts += 'DEPS=1 ' # required for VASP parallel builds
5656
5757# Testing, can take a long time!
5858# This section has been taken from VASP-6.3.2-nvofbf-2022.07.eb
59- # The important bit seems to be to set ulimit -s to unlimited, as else segfaults
60- # will occure during some of the tests.
59+ # The important bit seems to be to set ulimit -s to unlimited, as else segfaults
60+ # will occure during some of the tests.
6161# https://www.vasp.at/wiki/index.php/Validation_tests
6262
6363# it is recommended to run the testsuite with 4 MPI processes,
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