diff --git a/c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb b/c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb index b609bf5a..8f572aab 100644 --- a/c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb +++ b/c/CRYSTAL/CRYSTAL-17-intel-2020a-1.0.2.eb @@ -16,12 +16,12 @@ 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'] +sources = ['crystal17_v1_0_2_Linux-ifort17_emt64_Pdistrib.tar'] +patches = ['/apps/easybuild/easyconfigs-it4i/c/CRYSTAL/CRYSTAL17-mpibin.patch'] checksums = [ - '38fec681f9f7852060e9ebca18f00289a36f049033a70ca4b2eee07e6ba72ede', - '6aa420695049f3ebcff9166501b69b8846977b67f7959c0c8e33cf0b0daa3916', + '0100bf931f0f2cae27dfde87ff63e9bba950af61ecfef31c7a864e4240b00e4e', + '986d4fc46a5e8084e732d88f4ef7c065c59ccfa0cb41e6cad612fb3492b00614', ] prebuildopts = "cd build && " diff --git a/c/CRYSTAL/CRYSTAL17-mpibin.patch b/c/CRYSTAL/CRYSTAL17-mpibin.patch new file mode 100644 index 00000000..7bd55b60 --- /dev/null +++ b/c/CRYSTAL/CRYSTAL17-mpibin.patch @@ -0,0 +1,14 @@ +--- build/Xmakes/Linux-ifort17_XE_emt64.inc.orig 2025-01-27 09:41:25.005307038 +0100 ++++ build/Xmakes/Linux-ifort17_XE_emt64.inc 2025-01-27 09:41:38.564093381 +0100 +@@ -1,9 +1,9 @@ + # For Linux on clutwin intel64, using Intel Fortran Compiler + + MPIBIN = +-F90 = $(MPIBIN)/mpif90 ++F90 = mpif90 + LD = $(F90) +-PLD = $(MPIBIN)/mpif90 ++PLD = mpif90 + + F90FLAGS = -O3 -align -cxxlib -xssse3 + F90FIXED = -FI