mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-13 10:21:22 +01:00
182459da35
deleted: a/Anaconda2/Anaconda2-4.4.0.eb deleted: a/Anaconda3/Anaconda3-2019.10.eb deleted: a/Anaconda3/Anaconda3-4.4.0.eb deleted: a/Anaconda3/Anaconda3-5.3.1.eb deleted: a/Autotools/Autotools-20150215-GCC-6.3.0-2.27.eb deleted: a/Autotools/Autotools-20170619.eb deleted: a/Autotools/Autotools-20180311.eb
33 lines
1.1 KiB
Plaintext
33 lines
1.1 KiB
Plaintext
name = 'Libint'
|
|
version = '1.1.6'
|
|
|
|
homepage = 'https://sourceforge.net/p/libint/'
|
|
description = """Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body
|
|
matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory."""
|
|
|
|
toolchain = {'name': 'intel', 'version': '2017a'}
|
|
toolchainopts = {'pic': True}
|
|
|
|
sources = ['release-%s.tar.gz' % '-'.join(version.split('.'))]
|
|
source_urls = ['https://github.com/evaleev/libint/archive/']
|
|
|
|
builddependencies = [('Autotools', '20150215')]
|
|
|
|
preconfigopts = "aclocal -I lib/autoconf && libtoolize && autoconf && "
|
|
|
|
configopts = "--enable-deriv --enable-r12"
|
|
|
|
sanity_check_paths = {
|
|
'files': [
|
|
'include/lib%(x)s/lib%(x)s.h' %
|
|
{
|
|
'x': x} for x in [
|
|
'deriv', 'int', 'r12']] + [
|
|
'include/libint/hrr_header.h', 'include/libint/vrr_header.h'] + [
|
|
'lib/lib%s.%s' %
|
|
(x, y) for x in [
|
|
'deriv', 'int', 'r12'] for y in [
|
|
'a', SHLIB_EXT]], 'dirs': [], }
|
|
|
|
moduleclass = 'chem'
|