diff --git a/m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz b/m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz
deleted file mode 100644
index af1d7468..00000000
Binary files a/m/mpi4pyscf/mpi4pyscf-0.3.1.tar.gz and /dev/null differ
diff --git a/p/PhaseLink/PhaseLink-20210503-fix-python-bin.patch b/p/PhaseLink/PhaseLink-20210503-fix-python-bin.patch
new file mode 100644
index 00000000..65671fa0
--- /dev/null
+++ b/p/PhaseLink/PhaseLink-20210503-fix-python-bin.patch
@@ -0,0 +1,48 @@
+diff -dur PhaseLink-20210503-orig/params.json PhaseLink-20210503/params.json
+--- PhaseLink-20210503-orig/params.json	2022-04-14 16:12:07.547992065 +0200
++++ PhaseLink-20210503/params.json	2022-04-14 16:17:21.079798445 +0200
+@@ -28,7 +28,7 @@
+     "lat_max": 37.0,
+     "lon_min": -121.0,
+     "lon_max": -115,
+-    "fault_file": "/home/zross/src/Qt_flt_v2-0latlonNAD27.MIF",
++    "fault_file": "src/Qt_flt_v2-0latlonNAD27.MIF",
+     "n_min_radius": 8,
+     "n_fake": 0,
+     "max_event_depth": 25.0,
+diff -dur PhaseLink-20210503-orig/phaselink_dataset.py PhaseLink-20210503/phaselink_dataset.py
+--- PhaseLink-20210503-orig/phaselink_dataset.py	2022-04-14 16:12:07.547992065 +0200
++++ PhaseLink-20210503/phaselink_dataset.py	2022-04-14 16:15:46.740759378 +0200
+@@ -1,4 +1,4 @@
+-#!/home/zross/bin/python
++#!/usr/bin/env python
+ import numpy as np
+ import multiprocessing as mp
+ import pickle
+diff -dur PhaseLink-20210503-orig/phaselink_eval.py PhaseLink-20210503/phaselink_eval.py
+--- PhaseLink-20210503-orig/phaselink_eval.py	2022-04-14 16:12:07.548992055 +0200
++++ PhaseLink-20210503/phaselink_eval.py	2022-04-14 16:15:59.125633226 +0200
+@@ -1,4 +1,4 @@
+-#! /home/zross/bin/python
++#!/usr/bin/env python
+ 
+ # PhaseLink: Earthquake phase association with deep learning
+ # Author: Zachary E. Ross
+diff -dur PhaseLink-20210503-orig/phaselink_plot.py PhaseLink-20210503/phaselink_plot.py
+--- PhaseLink-20210503-orig/phaselink_plot.py	2022-04-14 16:12:07.549992045 +0200
++++ PhaseLink-20210503/phaselink_plot.py	2022-04-14 16:16:12.931492600 +0200
+@@ -1,4 +1,4 @@
+-#!/home/zross/bin/python 
++#!/usr/bin/env python 
+ 
+ import numpy as np
+ import sys
+diff -dur PhaseLink-20210503-orig/phaselink_train.py PhaseLink-20210503/phaselink_train.py
+--- PhaseLink-20210503-orig/phaselink_train.py	2022-04-14 16:12:07.550992035 +0200
++++ PhaseLink-20210503/phaselink_train.py	2022-04-14 16:17:48.880515268 +0200
+@@ -1,4 +1,4 @@
+-#!/home/zross/bin/python
++#!/usr/bin/env python
+ import numpy as np
+ import os
+ import torch
diff --git a/p/PhaseLink/PhaseLink-20210503-fosscuda-2020b.eb b/p/PhaseLink/PhaseLink-20210503-fosscuda-2020b.eb
new file mode 100644
index 00000000..3796ff88
--- /dev/null
+++ b/p/PhaseLink/PhaseLink-20210503-fosscuda-2020b.eb
@@ -0,0 +1,46 @@
+# IT4Innovations
+# JK 2022
+
+easyblock = 'PackedBinary'
+
+name = 'PhaseLink'
+version = '20210503'
+
+local_pytorch_ver = '-PyTorch-1.10.0'
+
+homepage = 'https://github.com/interseismic/PhaseLink'
+description = """
+PhaseLink applies a deep learning approach to seismic phase association.
+"""
+
+toolchain = {'name': 'fosscuda', 'version': '2020b'}
+
+# clone from github and create an archive
+sources = ['%(name)s-%(version)s.tar.gz']
+extract_sources = True
+
+dependencies = [
+    ('Python', '3.8.6'),
+    ('apex', '20210420'),
+    ('CuPy', '8.5.0'),
+    ('Cython', '0.29.22'),
+    ('geopy', '2.1.0'),
+    ('h5py', '3.1.0'),
+    ('matplotlib', '3.3.3'),
+    ('mpi4py', '3.1.3', '', ('foss', '2020b')),
+    ('MPICH', '3.3.2'),
+    ('numba', '0.52.0'),
+    ('obspy', '1.3.0'),
+    ('pyproj', '3.0.1'),
+    ('PyTorch', '1.10.0'),
+    ('scikit-learn', '0.23.2'),
+    ('torchaudio', '0.10.0', local_pytorch_ver),
+    ('torchvision', '0.11.3', local_pytorch_ver),
+]
+
+postinstallcmds = ['find %(installdir)s -type f -name "*.py" -print0 | xargs -0 chmod +x']
+
+skipsteps = ['sanitycheck']
+modextrapaths = {'PYTHONPATH': ''}
+
+moduleclass = 'geo'
diff --git a/p/PhaseLink/PhaseLink-20210503.tar.gz b/p/PhaseLink/PhaseLink-20210503.tar.gz
new file mode 100644
index 00000000..7f9712e0
Binary files /dev/null and b/p/PhaseLink/PhaseLink-20210503.tar.gz differ
diff --git a/p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken b/p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken
deleted file mode 100644
index 0ec15406..00000000
--- a/p/PySCF/PySCF-2.0.1-intel-2020b.eb.broken
+++ /dev/null
@@ -1,49 +0,0 @@
-# has a problem with iimpi, doesn't work
-# IT4Innovations
-# JK 2022
-
-easyblock = 'CMakeMakeCp'
-
-name = 'PySCF'
-version = '2.0.1'
-
-homepage = 'http://www.pyscf.org'
-description = "PySCF is an open-source collection of electronic structure modules powered by Python."
-
-toolchain = {'name': 'intel', 'version': '2020b'}
-
-source_urls = ['https://github.com/pyscf/pyscf/archive/']
-sources = ['v%(version)s.tar.gz']
-checksums = ['6a152860787351aae52dc1ef2399bd9564fa314dca070312cfc0f2c3fc7412cf']
-
-builddependencies = [('CMake', '3.20.1')]
-
-dependencies = [
-    ('Python', '3.8.6'),
-    ('SciPy-bundle', '2020.11'),  # for numpy, scipy
-    ('h5py', '3.1.0'),
-    ('libcint', '4.4.0'),
-    ('libxc', '4.3.4'),
-    ('XCFun', '2.1.1'),
-]
-
-start_dir = 'pyscf/lib'
-
-separate_build_dir = True
-
-configopts = "-DBUILD_LIBCINT=OFF -DBUILD_LIBXC=OFF -DBUILD_XCFUN=OFF"
-
-prebuildopts = "export PYSCF_INC_DIR=$EBROOTQCINT/include:$EBROOTLIBXC/lib && "
-
-files_to_copy = ['pyscf']
-
-sanity_check_paths = {
-    'files': ['pyscf/__init__.py'],
-    'dirs': ['pyscf/data', 'pyscf/lib'],
-}
-
-sanity_check_commands = ["python -c 'import pyscf'"]
-
-modextrapaths = {'PYTHONPATH': ''}
-
-moduleclass = 'chem'
diff --git a/q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old b/q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old
deleted file mode 100644
index e6af6564..00000000
--- a/q/QMCPACK/QMCPACK-3.12.0-intel-2020b-Python-3.8.6.eb.old
+++ /dev/null
@@ -1,64 +0,0 @@
-# IT4Innovations 2021
-# JK2021
-
-easyblock = 'CMakeMake'
-
-name = 'QMCPACK'
-version = '3.12.0'
-versionsuffix = "-Python-%(pyver)s"
-
-homepage = "https://qmcpack.org/"
-description = """QMCPACK, is a modern high-performance open-source Quantum Monte Carlo (QMC) simulation code. Its main applications are electronic structure calculations of molecular, quasi-2D and solid-state systems. Variational Monte Carlo (VMC), diffusion Monte Carlo (DMC) and a number of other advanced QMC algorithms are implemented. Orbital space auxiliary field QMC (AFQMC) has recently been added. By directly solving the Schrodinger equation, QMC methods offer greater accuracy than methods such as density functional theory, but at a trade-off of much greater local_computational expense.
-"""
-
-# vypada to, ze od 3.12.0 uz optimalizace na avx2 nedela trable?
-toolchain = {'name': 'intel', 'version': '2020b'}
-import os
-if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
-   toolchainopts = {'opt': True, 'pic': True, 'usempi': True, 'optarch': 'march=core-avx2'}
-   prebuildopts = "echo %(builddir)s && while read i; do echo $i; sed 's|-xHost|-march=core-avx2|g' -i $i; done < <(grep xHost %(builddir)s -R | cut -d ':' -f 1 | sort -u) &&"
-else:
-   toolchainopts = {'opt': True, 'pic': True, 'usempi': True}
-
-source_urls = ['https://github.com/QMCPACK/qmcpack/archive/']
-sources = ['v%(version)s.tar.gz']
-
-builddependencies = [('CMake', '3.20.1', '', True),]
-
-# odstran z module file GCC 9.3.0 - rovnak na intel
-dependencies = [
-    ('libxml2', '2.9.10'),
-    ('Boost', '1.74.0'),
-    ('HDF5', '1.10.7', '', ('iimpi', '2020b')),
-    ('Python', '3.8.6'),
-    ('h5py', '3.1.0'),
-    ('SciPy-bundle', '2020.11'),
-    ('GCC', '9.3.0', '', True),
-]
-
-separate_build_dir = True
-
-configopts = ' -DENABLE_SOA=1 '
-configopts += ' -DCMAKE_C_COMPILER=mpiicc -DCMAKE_CXX_COMPILER=mpiicpc '
-configopts += ' -DHDF5_PREFER_PARALLEL=1 -DENABLE_PHDF5=1 '
-configopts += ' -DQMC_SYMLINK_TEST_FILES=0 '
-configopts += ' -DCMAKE_BUILD_TYPE=Release '
-configopts += ' -DQMC_OMP=ON '
-
-# prekopiruje nexus knihovny o kterych install file tvrdi, ze nejsou potreba
-# ale evidentne to bez nich nejede
-preinstallopts = [
-		  ' mkdir -p %(installdir)s/nexus && ',
-		  ' cp -r %(builddir)s/qmcpack-%(version)s/nexus/lib %(installdir)s/nexus/lib && ',
-]
-
-
-# prida nexus knihovny do PYTHONPATH
-modextrapaths = {'PYTHONPATH': 'nexus/lib'}
-
-sanity_check_paths = {
-    'files': ['bin/qmcpack'],
-    'dirs': ['bin'],
-}
-
-moduleclass = 'phys'
diff --git a/q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken b/q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken
deleted file mode 100644
index d24a6b55..00000000
--- a/q/QMCPACK/QMCPACK-3.13.0-foss-2021a-Python-3.9.5.eb.broken
+++ /dev/null
@@ -1,71 +0,0 @@
-# This compilation is much slower than the intel one
-# IT4Innovations 2022
-# JK
-
-easyblock = 'CMakeMake'
-
-name = 'QMCPACK'
-version = '3.13.0'
-versionsuffix = "-Python-%(pyver)s-test"
-
-homepage = "https://qmcpack.org/"
-description = """QMCPACK, is a modern high-performance open-source Quantum Monte Carlo (QMC) simulation code. Its main applications are electronic structure calculations of molecular, quasi-2D and solid-state systems. Variational Monte Carlo (VMC), diffusion Monte Carlo (DMC) and a number of other advanced QMC algorithms are implemented. Orbital space auxiliary field QMC (AFQMC) has recently been added. By directly solving the Schrodinger equation, QMC methods offer greater accuracy than methods such as density functional theory, but at a trade-off of much greater local_computational expense.
-"""
-
-toolchain = {'name': 'foss', 'version': '2021a'}
-import os
-if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
-   toolchainopts = {'opt': True, 'pic': True, 'usempi': True, 'optarch': 'march=core-avx2'}
-   prebuildopts = "echo %(builddir)s && while read i; do echo $i; sed 's|-xHost|-march=core-avx2|g' -i $i; done < <(grep xHost %(builddir)s -R | cut -d ':' -f 1 | sort -u) &&"
-else:
-   toolchainopts = {'opt': True, 'pic': True, 'usempi': True}
-
-source_urls = ['https://github.com/QMCPACK/qmcpack/archive/']
-sources = ['v%(version)s.tar.gz']
-
-builddependencies = [('CMake', '3.20.1', '', True),]
-
-# odstran z module file GCC 9.3.0 - rovnak na intel
-dependencies = [
-    ('libxml2', '2.9.10'),
-    ('Boost', '1.76.0'),
-    ('HDF5', '1.10.7', '', ('gompi', '2021a')),
-    ('Python', '3.9.5'),
-    ('h5py', '3.2.1'),
-    ('SciPy-bundle', '2021.05'),
-    ('FFTW', '3.3.9', '', ('gompi','2021a')),
-    ('PySCF', '2.0.1'),
-#    ('GCC', '9.3.0', '', True),
-]
-
-separate_build_dir = True
-
-configopts = ' -DENABLE_SOA=1 '
-configopts += ' -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx '
-configopts += ' -DHDF5_PREFER_PARALLEL=1 -DENABLE_PHDF5=1 '
-configopts += ' -DQMC_SYMLINK_TEST_FILES=0 '
-configopts += ' -DCMAKE_BUILD_TYPE=Release '
-configopts += ' -DQMC_OMP=ON '
-configopts += ' -DCMAKE_INSTALL_PREFIX=%(installdir)s'
-configopts += ' -DINSTALL_NEXUS=ON '
-configopts += ' -DBUILD_UNIT_TESTS=ON -DBUILD_MICRO_BENCHMARKS=ON '
-configopts += ' -DBUILD_AFQMC=ON ' # FCIQMC fails
-
-# prekopiruje nexus knihovny o kterych install file tvrdi, ze nejsou potreba
-# ale evidentne to bez nich nejede
-
-preinstallopts = [
-    ' mkdir -p %(installdir)s/nexus && ',
-    ' mkdir -p %(installdir)s/QMCTools && ',
-    ' cp -r %(builddir)s/qmcpack-%(version)s/nexus %(installdir)s/ && ',
-    ' cp %(builddir)s/qmcpack-%(version)s/src/QMCTools/*.py %(installdir)s/QMCTools/ && ',
-]
-
-modextrapaths = {'PYTHONPATH': ['nexus/lib', 'QMCTools']}
-
-sanity_check_paths = {
-    'files': ['bin/qmcpack'],
-    'dirs': ['bin'],
-}
-
-moduleclass = 'phys'
diff --git a/q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old b/q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old
deleted file mode 100644
index c7257254..00000000
--- a/q/QMCPACK/QMCPACK-3.13.0-intel-2020b-Python-3.8.6.eb.old
+++ /dev/null
@@ -1,61 +0,0 @@
-# IT4Innovations 2022
-# JK
-
-easyblock = 'CMakeMake'
-
-name = 'QMCPACK'
-version = '3.13.0'
-versionsuffix = "-Python-%(pyver)s"
-
-homepage = "https://qmcpack.org/"
-description = """QMCPACK, is a modern high-performance open-source Quantum Monte Carlo (QMC) simulation code. Its main applications are electronic structure calculations of molecular, quasi-2D and solid-state systems. Variational Monte Carlo (VMC), diffusion Monte Carlo (DMC) and a number of other advanced QMC algorithms are implemented. Orbital space auxiliary field QMC (AFQMC) has recently been added. By directly solving the Schrodinger equation, QMC methods offer greater accuracy than methods such as density functional theory, but at a trade-off of much greater local_computational expense.
-"""
-
-toolchain = {'name': 'intel', 'version': '2020b'}
-import os
-if os.environ.get("CLUSTERNAME") in ["KAROLINA"]:
-   toolchainopts = {'opt': True, 'pic': True, 'usempi': True, 'optarch': 'march=core-avx2'}
-   prebuildopts = "echo %(builddir)s && while read i; do echo $i; sed 's|-xHost|-march=core-avx2|g' -i $i; done < <(grep xHost %(builddir)s -R | cut -d ':' -f 1 | sort -u) &&"
-else:
-   toolchainopts = {'opt': True, 'pic': True, 'usempi': True}
-
-source_urls = ['https://github.com/QMCPACK/qmcpack/archive/']
-sources = ['v%(version)s.tar.gz']
-
-builddependencies = [('CMake', '3.20.1', '', True),]
-
-# odstran z module file GCC 9.3.0 - rovnak na intel
-dependencies = [
-    ('libxml2', '2.9.10'),
-    ('Boost', '1.74.0'),
-    ('HDF5', '1.10.7', '', ('iimpi', '2020b')),
-    ('Python', '3.8.6'),
-    ('h5py', '3.1.0'),
-    ('SciPy-bundle', '2020.11'),
-    ('GCC', '9.3.0', '', True),
-]
-
-separate_build_dir = True
-
-configopts = ' -DENABLE_SOA=1 '
-configopts += ' -DCMAKE_C_COMPILER=mpiicc -DCMAKE_CXX_COMPILER=mpiicpc '
-configopts += ' -DHDF5_PREFER_PARALLEL=1 -DENABLE_PHDF5=1 '
-configopts += ' -DQMC_SYMLINK_TEST_FILES=0 '
-configopts += ' -DCMAKE_BUILD_TYPE=Release '
-configopts += ' -DQMC_OMP=ON '
-
-# prekopiruje nexus knihovny o kterych install file tvrdi, ze nejsou potreba
-# ale evidentne to bez nich nejede
-preinstallopts = [
-		  ' mkdir -p %(installdir)s/nexus && ',
-		  ' cp -r %(builddir)s/qmcpack-%(version)s/nexus/lib %(installdir)s/nexus/lib && ',
-]
-
-modextrapaths = {'PYTHONPATH': 'nexus/lib'}
-
-sanity_check_paths = {
-    'files': ['bin/qmcpack'],
-    'dirs': ['bin'],
-}
-
-moduleclass = 'phys'