Skip to content

Instantly share code, notes, and snippets.

@freifrauvonbleifrei

freifrauvonbleifrei/packages.yaml

Last active March 24, 2020 16:00
Show Gist options
  • Star 0 You must be signed in to star a gist
  • Fork 0 You must be signed in to fork a gist
  • Save freifrauvonbleifrei/80d3fa83ee1124eb30e20675cf9a2c67 to your computer and use it in GitHub Desktop.
Save freifrauvonbleifrei/80d3fa83ee1124eb30e20675cf9a2c67 to your computer and use it in GitHub Desktop.
Download ZIP
Raw
packages.yaml
# Based on NERSC Cori config
# These package should be upgraded whenever there is a CDT or PE upgrade
packages:
all:
# default compilers defined by the system
# these reflect the current installed PE
compiler: [gcc@8.3.0, cce@9.0.2, intel/19.0.1.144, pgi/19.7.0]
providers:
mpi: [mpich]
mkl: [intel-mkl]
blas: [cray-libsci_acc, cray-libsci, intel-mkl]
scalapack: [cray-libsci_acc, cray-libsci, intel-mkl]
pkgconfig: [pkg-config]
autoconf:
paths:
autoconf@2.69: /usr
automake:
paths:
automake@1.15.1: /usr
binutils:
variants: +gold~headers+libiberty+nls~plugin
paths:
binutils@2.31: /usr
boost:
variants: +atomic+chrono~clanglibcpp+date_time~debug+filesystem~graph~icu+iostreams+locale+log+math+mpi+multithreaded +program_options+python+random+regex+serialization+shared+signals~singlethreaded+system~taggedlayout+test+thread+timer~versionedlayout+wave
bzip2:
paths:
bzip2@1.0.6: /usr
cmake:
variants: ~doc+ncurses+openssl~ownlibs~qt
# paths:
# cmake@3.14.5: /usr
cp2k:
variants: blas=mkl ~elpa+libxc+mpi+openmp~pexsi~plumed smm=libxsmm
cray-libsci:
buildable: false
modules:
cray-libsci@19.06.1%gcc: cray-libsci/19.06.1
cray-libsci@19.06.1%intel: cray-libsci/19.06.1
cray-libsci@19.06.1%cce: cray-libsci/19.06.1
cray-libsci@19.06.1%pgi: cray-libsci/19.06.1
cray-libsci_acc:
buildable: false
modules:
cray-libsci_acc@19.10.1%gcc: cray-libsci_acc/19.10.1
cray-libsci_acc@19.10.1%intel: cray-libsci_acc/19.10.1
cray-libsci_acc@19.10.1%cce: cray-libsci_acc/19.10.1
cray-libsci_acc@19.10.1%pgi: cray-libsci_acc/19.10.1
cuda:
modules:
cuda@10.0: cudatoolkit/10.0.130_3.22-7.0.1.0_5.2__gdfb4ce5
cuda@10.1: cudatoolkit/10.1.105_3.27-7.0.1.1_4.1__ga311ce7
curl:
paths:
curl@7.60.0: /usr
diffutils:
paths:
diffutils@3.6: /usr
elpa:
variants: +openmp +optflags
fftw:
buildable: false
modules:
fftw@3.3.8.3%gcc+openmp: cray-fftw/3.3.8.3
fftw@3.3.8.3%intel+openmp: cray-fftw/3.3.8.3
fftw@3.3.8.3%cce+openmp: cray-fftw/3.3.8.3
fftw@3.3.8.3%pgi+openmp: cray-fftw/3.3.8.3
gawk:
paths:
gawk@4.2.1: /usr
gettext:
paths:
gettext@0.19.8.1: /usr
git:
buildable: false
paths:
git@2.16.4: /usr
gromacs:
variants: build_type=Release +mpi +cuda
# hdf5:
# buildable: false
# modules:
# hdf5@1.10.5.1%intel~mpi+hl: cray-hdf5/1.10.5.1
# hdf5@1.10.5.1%gcc~mpi+hl: cray-hdf5/1.10.5.1
# hdf5@1.10.5.1%cce~mpi+hl: cray-hdf5/1.10.5.1
# hdf5@1.10.5.1%pgi~mpi+hl: cray-hdf5/1.10.5.1
# hdf5@1.10.5.1%intel+mpi+hl: cray-hdf5-parallel/1.10.5.1
# hdf5@1.10.5.1%gcc+mpi+hl: cray-hdf5-parallel/1.10.5.1
# hdf5@1.10.5.1%cce+mpi+hl: cray-hdf5-parallel/1.10.5.1
# hdf5@1.10.5.1%pgi+mpi+hl: cray-hdf5-parallel/1.10.5.1
# hdf5@1.10.5.1%intel~mpi+hl+fortran: cray-hdf5/1.10.5.1
# hdf5@1.10.5.1%gcc~mpi+hl+fortran: cray-hdf5/1.10.5.1
# hdf5@1.10.5.1%cce~mpi+hl+fortran: cray-hdf5/1.10.5.1
# hdf5@1.10.5.1%pgi~mpi+hl+fortran: cray-hdf5/1.10.5.1
# hdf5@1.10.5.1%intel+mpi+hl+fortran: cray-hdf5-parallel/1.10.5.1
# hdf5@1.10.5.1%gcc+mpi+hl+fortran: cray-hdf5-parallel/1.10.5.1
# hdf5@1.10.5.1%cce+mpi+hl+fortran: cray-hdf5-parallel/1.10.5.1
# hdf5@1.10.5.1%pgi+mpi+hl+fortran: cray-hdf5-parallel/1.10.5.1
hwloc:
variants: +cuda
paths:
hwloc@1.11: /usr
intel-mkl:
buildable: false
paths:
intel-mkl@2019.1.144%intel+ilp64 threads=tbb: /opt/intel
intel-mkl@2019.1.144%gcc+ilp64 threads=tbb: /opt/intel
intel-mkl@2019.1.144%cce+ilp64 threads=tbb: /opt/intel
intel-mkl@2019.1.144%intel+ilp64 threads=openmp: /opt/intel
intel-mkl@2019.1.144%gcc+ilp64 threads=openmp: /opt/intel
intel-mkl@2019.1.144%cce+ilp64 threads=openmp: /opt/intel
intel-mkl@2019.1.144%intel~ilp64 threads=none: /opt/intel
intel-mkl@2019.1.144%gcc~ilp64 threads=none: /opt/intel
intel-mkl@2019.1.144%cce~ilp64 threads=none: /opt/intel
libtool:
paths:
libtool@2.4.6: /usr
lz4:
paths:
lz4@1.8.0: /usr
m4:
paths:
m4@1.4.18: /usr
mpich:
buildable: false
modules:
mpich@3.2%gcc: cray-mpich/7.7.10
mpich@3.2%intel: cray-mpich/7.7.10
mpich@3.2%cce: cray-mpich/7.7.10
mpich@3.2%pgi: cray-mpich/7.7.10
netcdf:
buildable: false
modules:
netcdf@4.6.3.1%gcc+parallel-netcdf+mpi: cray-netcdf-hdf5parallel/4.6.3.1
netcdf@4.6.3.1%intel+parallel-netcdf+mpi: cray-netcdf-hdf5parallel/4.6.3.1
netcdf@4.6.3.1%cce+parallel-netcdf+mpi: cray-netcdf-hdf5parallel/4.6.3.1
netcdf@4.6.3.1%pgi+parallel-netcdf+mpi: cray-netcdf-hdf5parallel/4.6.3.1
netcdf@4.6.3.1%gcc~parallel-netcdf~mpi: cray-netcdf/4.6.3.1
netcdf@4.6.3.1%intel~parallel-netcdf~mpi: cray-netcdf/4.6.3.1
netcdf@4.6.3.1%cce~parallel-netcdf~mpi: cray-netcdf/4.6.3.1
netcdf@4.6.3.1%pgi~parallel-netcdf~mpi: cray-netcdf/4.6.3.1
netcdf-fortran:
buildable: false
modules:
netcdf-fortran@4.6.3.1%gcc+parallel-netcdf+mpi: cray-netcdf-hdf5parallel/4.6.3.1
netcdf-fortran@4.6.3.1%intel+parallel-netcdf+mpi: cray-netcdf-hdf5parallel/4.6.3.1
netcdf-fortran@4.6.3.1%cce+parallel-netcdf+mpi: cray-netcdf-hdf5parallel/4.6.3.1
netcdf-fortran@4.6.3.1%pgi+parallel-netcdf+mpi: cray-netcdf-hdf5parallel/4.6.3.1
netlib-scalapack:
variants: build_type=Release
netlib-lapack:
variants: build_type=Release +external-blas+lapacke
openblas:
variants: +pic +shared threads=openmp ~virtual_machine
openssl:
paths:
openssl@1.1.0i: /usr
papi:
buildable: false
modules:
papi@5.7.0.2%gcc: papi/5.7.0.2
papi@5.7.0.2%intel: papi/5.7.0.2
papi@5.7.0.2%cce: papi/5.7.0.2
papi@5.7.0.2%pgi: papi/5.7.0.2
perl:
paths:
perl@5.26.1: /usr
pkg-config:
paths:
pkg-config@0.29.2: /usr
petsc:
buildable: false
modules:
petsc@3.11.2.0%gcc~complex~int64: cray-petsc/3.11.2.0
petsc@3.11.2.0%intel~complex~int64: cray-petsc/3.11.2.0
petsc@3.11.2.0%cce~complex~int64: cray-petsc/3.11.2.0
petsc@3.11.2.0%pgi~complex~int64: cray-petsc/3.11.2.0
petsc@3.11.2.0%gcc+complex~int64: cray-petsc-complex/3.11.2.0
petsc@3.11.2.0%intel+complex~int64: cray-petsc-complex/3.11.2.0
petsc@3.11.2.0%cce+complex~int64: cray-petsc-complex/3.11.2.0
petsc@3.11.2.0%pgi+complex~int64: cray-petsc-complex/3.11.2.0
petsc@3.11.2.0%gcc~complex+int64: cray-petsc-64/3.11.2.0
petsc@3.11.2.0%intel~complex+int64: cray-petsc-64/3.11.2.0
petsc@3.11.2.0%cce~complex+int64: cray-petsc-64/3.11.2.0
petsc@3.11.2.0%pgi~complex+int64: cray-petsc-64/3.11.2.0
petsc@3.11.2.0%gcc+complex+int64: cray-petsc-complex-64/3.11.2.0
petsc@3.11.2.0%intel+complex+int64: cray-petsc-complex-64/3.11.2.0
petsc@3.11.2.0%cce+complex+int64: cray-petsc-complex-64/3.11.2.0
petsc@3.11.2.0%pgi+complex+int64: cray-petsc-complex-64/3.11.2.0
python:
paths:
python@3.6.5.7: /opt/python/3.6.5.7/
quantum-espresso:
variants: ~elpa +mpi +openmp
readline:
paths:
readline@7.0: /usr
tar:
paths:
tar@1.30.0: /bin
trilinos:
buildable: false
modules:
trilinos@12.14.1.0%gcc: cray-trilinos/12.14.1.0
trilinos@12.14.1.0%intel: cray-trilinos/12.14.1.0
trilinos@12.14.1.0%cce: cray-trilinos/12.14.1.0
trilinos@12.14.1.0%pgi: cray-trilinos/12.14.1.0
xz:
paths:
xz@5.2.3: /usr
# zlib:
# paths:
# zlib@1.2.11: /usr
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment