Perlmutter installers

bin/environment-perlmutter.yml

@@ -0,0 +1,69 @@
+channels:
+  - conda-forge
+dependencies:
+  - astropy=6.1.*
+  - camb=1.5.*
+  - cosmosis=3.7.*
+  - cmake
+  - dask=2024.5.2
+  - dm-tree=0.1.8
+  - fitsio=1.2.*
+  - h5py>=3=mpi_mpich_*
+  - healpy=1.16.*
+  - healsparse=1.10.*
+  - jax=0.4.27
+  - jaxlib=0.4.23
+  - jupyter=1.0.*
+  - matplotlib=3.8.*
+  - mpi4py>=3
+  - mpich=*=external_*
+  - namaster=2.0.*
+  - numpy=1.26.*
+  - pandas>=2.0
+  - psutil=5.9.*
+  - pyccl=3.0.*
+  - python=3.10.*
+  - scikit-learn=1.5.*
+  - scipy=1.13.*
+  - tables-io-full=0.9.*
+  - threadpoolctl=3.5.*
+  - tjpcov=0.4.*
+  - treecorr=5.0.*
+  - pip=24.0.*
+  - pygraphviz=1.13.*
+  - nbconvert
+  - ipykernel
+  - lsstdesc-gcr-catalogs
+  - guppy3
+  - lsstdesc-dc2-dm-data
+  - psycopg2
+  - pyarrow
+  - pytables
+  - somoclu
+  - pip:
+    - ceci==2.0.1
+    - git+https://github.com/jlvdb/hyperbolic@b88b107a291fa16c2006cf971ce610248d58e94c
+    - dask-mpi>=2022.4.0
+    - git+https://github.com/LSSTDESC/[email protected]
+    - parallel-statistics==0.13
+    - sacc[all]==0.14
+    - jax==0.4.27
+    - jaxlib==0.4.23
+    - glass==2023.7
+    - git+https://github.com/beckermr/hybrideb@a3198ea5bc8175542b058e5c1289d910f05fd99d
+    # we must specifically request versions of rail algorithms
+    # to ensure that we get the ceci v2 versions
+    - pz-rail[algos] @ git+https://github.com/LSSTDESC/[email protected]
+    - pz-rail-astro-tools==1.0.4
+    - pz-rail-base==1.0.4
+    - pz-rail-bpz==1.0.1
+    - pz-rail-cmnn==1.0.1
+    - pz-rail-dsps==0.0.3 # no pypi release for more than 0.3
+    - pz-rail-flexzboost==1.0.1
+    - pz-rail-fsps==1.0.1
+    - pz-rail-gpz-v1==1.0.2
+    - pz-rail-lephare==0.2 # no release for ceci2 yet - cannot use
+    - pz-rail-pzflow==1.0.1
+    - pz-rail-sklearn==1.0.1
+    - pz-rail-som==1.0.1
+    - qp-prob==0.9.1

bin/install.sh

@@ -13,6 +13,14 @@ fi
 
 # Figure out operating system details
 
+if [ ${NERSC_HOST} == "perlmutter" ]
+then
+    echo "Installing on Perlmutter using specialised script"
+    ./bin/perlmutter-install.sh
+    exit
+fi
+
+
 INSTALLER_VERSION=24.3.0-0
 
 export SKLEARN_ALLOW_DEPRECATED_SKLEARN_PACKAGE_INSTALL=True

bin/perlmutter-install.sh

@@ -0,0 +1,50 @@
+#!/usr/bin/env bash
+
+set -e
+
+ENV_PATH=./conda
+
+module load python
+
+conda create --yes -p ${ENV_PATH} python=3.10
+conda activate ${ENV_PATH}
+module swap PrgEnv-${PE_ENV,,} PrgEnv-gnu
+MPICC="cc -shared" pip install --force-reinstall --no-cache-dir --no-binary=mpi4py mpi4py -vv
+
+# Okay, this is a terrible thing we're doing now.
+# If I install the TX environment then it breaks something, somewhere
+# in the compilation of mpi4py.  So we are going to copy it out somewhere else,
+# let conda overwrite it, and then replace it again
+BACKUP_DIR=mpi4py-tmp-${RANDOM}
+mkdir ${BACKUP_DIR}
+mv  ${ENV_PATH}/lib/python3.10/site-packages/mpi4py*  ${BACKUP_DIR}/
+
+# Install all the TXPipe dependencies. This is the same as the main installer
+# except with FireCrown removed.
+mamba env update --file bin/environment-perlmutter.yml
+
+# Now we put mpi4py back manually. May God forgive me.
+mamba remove --force --yes mpi4py
+cp -r ${BACKUP_DIR}/* ${ENV_PATH}/lib/python3.10/site-packages/
+rm -rf ${BACKUP_DIR}
+
+# we manually install firecrown as we have to remove numcosmo to avoid clashes
+FIRECROWN_DIR=firecrown-tmp-${RANDOM}
+git clone --branch v1.7.5 https://github.com/LSSTDESC/firecrown  ${FIRECROWN_DIR}
+cd ${FIRECROWN_DIR}
+sed -i '/numcosmo/d' setup.cfg
+pip install .
+cd ..
+rm -rf ${FIRECROWN_DIR}
+
+# Add some things that are set up automatically
+cat >  ./conda/etc/conda/activate.d/activate-txpipe.sh <<EOF
+module load cray-mpich-abi
+export MPI4PY_RC_RECV_MPROBE='False'
+export HDF5_USE_FILE_LOCKING=FALSE
+EOF
+
+echo ""
+echo "Installation successful!"
+echo "Now you can set up your TXPipe environment using the command:"
+echo "source ./conda/bin/activate"