diff --git a/a/ANSYS/ANSYS-2023R1-intel-2022a-vut.eb b/a/ANSYS/ANSYS-2023R1-intel-2022a-vut.eb index 78cf2a98..643904c2 100644 --- a/a/ANSYS/ANSYS-2023R1-intel-2022a-vut.eb +++ b/a/ANSYS/ANSYS-2023R1-intel-2022a-vut.eb @@ -30,4 +30,9 @@ import os license_server = os.getenv('EB_ANSYS_LICENSE_SERVER', 'licence.vut.cz') license_server_port = os.getenv('EB_ANSYS_LICENSE_SERVER_PORT', '2325:1715') +modextravars = { + 'ANSYSLMD_LICENSE_FILE': '1715@licence.vut.cz', +} + + moduleclass = 'tools' diff --git a/c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb b/c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb new file mode 100644 index 00000000..b609bf5a --- /dev/null +++ b/c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb @@ -0,0 +1,39 @@ +# IT4Innovations +# LK 2024 + +easyblock = 'MakeCp' + +name = 'CRYSTAL' +version = '17' +versionsuffix = '-1.0.2' + +homepage = 'http://www.crystal.unito.it' +description = """The CRYSTAL package performs ab initio calculations of the ground state energy, energy +gradient, electronic wave function and properties of periodic systems. Hartree-Fock or Kohn- +Sham Hamiltonians (that adopt an Exchange-Correlation potential following the postulates of +Density-Functional Theory) can be used.""" + +toolchain = {'name': 'intel', 'version': '2020a'} +toolchainopts = {'usempi': True} + +sources = ['crystal17_v1_0_2_Linux-ifort17_emt64_Pdistrib.tar.gz'] +patches = ['crystal17_v1.0.2-intel-2019b.patch'] + +checksums = [ + '38fec681f9f7852060e9ebca18f00289a36f049033a70ca4b2eee07e6ba72ede', + '6aa420695049f3ebcff9166501b69b8846977b67f7959c0c8e33cf0b0daa3916', +] + +prebuildopts = "cd build && " +buildopts = 'all' + +parallel = 1 + +files_to_copy = [(['bin/Linux-ifort17_XE_emt64/*/*'], 'bin')] + +sanity_check_paths = { + 'files': ['bin/crystal', 'bin/properties', 'bin/Pcrystal', 'bin/Pproperties'], + 'dirs': [], +} + +moduleclass = 'chem' diff --git a/s/STAR-CCM+/STAR-CCM+-18.06.006-r8.eb b/s/STAR-CCM+/STAR-CCM+-18.06.006-r8.eb new file mode 100644 index 00000000..e8a3c644 --- /dev/null +++ b/s/STAR-CCM+/STAR-CCM+-18.06.006-r8.eb @@ -0,0 +1,17 @@ +# IT4Innovations +# LK 2024 + +name = 'STAR-CCM+' +version = '18.06.006' +versionsuffix = '-r8' + +homepage = 'https://mdx.plm.automation.siemens.com/star-ccm-plus' +description = """STAR-CCM+ is a multiphysics computational fluid dynamics (CFD) software for the simulation of products +operating under real-world conditions.""" + +toolchain = SYSTEM + +sources = ['%%(name)s%%(version)s_01_linux-x86_64%s.tar.gz' % versionsuffix] +checksums = ['77a46b81e93d427a1c33b78fa9ae3fa0c1de4636c749e2f2692728b0f5bb1296'] + +moduleclass = 'cae'