From 260efb749929826497171344d06f210b71da0939 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Petr=20Kr=C3=A1l?= Date: Thu, 3 Oct 2024 08:18:42 +0200 Subject: [PATCH] adding easyconfigs: XCFun-2.1.1-GCCcore-12.3.0.eb --- .../x/XCFun/XCFun-2.1.1-GCCcore-12.3.0.eb | 27 +++++++++++++++++++ 1 file changed, 27 insertions(+) create mode 100644 easybuild/easyconfigs/x/XCFun/XCFun-2.1.1-GCCcore-12.3.0.eb diff --git a/easybuild/easyconfigs/x/XCFun/XCFun-2.1.1-GCCcore-12.3.0.eb b/easybuild/easyconfigs/x/XCFun/XCFun-2.1.1-GCCcore-12.3.0.eb new file mode 100644 index 00000000000..11a4eb62c8e --- /dev/null +++ b/easybuild/easyconfigs/x/XCFun/XCFun-2.1.1-GCCcore-12.3.0.eb @@ -0,0 +1,27 @@ +easyblock = 'CMakeMake' + +name = 'XCFun' +version = '2.1.1' + +homepage = 'https://xcfun.readthedocs.io' +description = """Arbitrary order exchange-correlation functional library""" + +toolchain = {'name': 'GCCcore', 'version': '12.3.0'} + +source_urls = ['https://github.com/dftlibs/xcfun/archive/'] +sources = ['v%(version)s.tar.gz'] +checksums = ['8b602df74c7be83d501532565deafd1b7881946d94789122f24c309a669298ab'] + +builddependencies = [ + ('binutils', '2.40'), + ('CMake', '3.26.3') +] + +modextravars = {'XCFun_DIR': '%(installdir)s/share/cmake/XCFun/'} + +sanity_check_paths = { + 'files': ['lib/libxcfun.%s' % SHLIB_EXT], + 'dirs': ['include/XCFun'] +} + +moduleclass = 'chem'