Spack 1.0.2

.github/workflows/docker_build_tpls.yml

@@ -67,20 +67,20 @@ jobs:
             DOCKER_ROOT_IMAGE: 7g8efcehpff/pangea-almalinux8-gcc9.4-openmpi4.1.2-cuda11.5.0-openblas0.3.18:4
             HOST_ARCH: ppc64le
             RUNS_ON: streak2
-          - name: Sherlock CPU (centos 7.9.2009, gcc 10.1.0, open-mpi 4.1.2, openblas 0.3.10, zlib 1.2.11)
-            DOCKER_REPOSITORY: geosx/sherlock-gcc10.1.0-openmpi4.1.2-openblas0.3.10-zlib1.2.11
-            TPL_DOCKERFILE: docker/Stanford/Dockerfile
-            DOCKER_ROOT_IMAGE: matteofrigo5/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11-cmake3.31.4-no-geosx:0.0.1
-            SPEC: "%[email protected]~pygeosx~openmp"
-            INSTALL_DIR_ROOT: /oak/stanford/groups/tchelepi/geos-sherlock/CPU
-            RUNS_ON: ubuntu-latest
-          - name: Sherlock GPU (centos 7.9.2009, gcc 10.1.0, open-mpi 4.1.2, cuda 12.4.0, openblas 0.3.10, zlib 1.2.11)
-            DOCKER_REPOSITORY: geosx/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11
-            TPL_DOCKERFILE: docker/Stanford/Dockerfile
-            DOCKER_ROOT_IMAGE: matteofrigo5/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11-cmake3.31.4-no-geosx:0.0.1
-            SPEC: "%[email protected]~pygeosx~openmp cuda_arch=70 ^[email protected]+allow-unsupported-compilers"
-            INSTALL_DIR_ROOT: /oak/stanford/groups/tchelepi/geos-sherlock/GPU
-            RUNS_ON: ubuntu-latest
+          # - name: Sherlock CPU (centos 7.9.2009, gcc 10.1.0, open-mpi 4.1.2, openblas 0.3.10, zlib 1.2.11)
+          #   DOCKER_REPOSITORY: geosx/sherlock-gcc10.1.0-openmpi4.1.2-openblas0.3.10-zlib1.2.11
+          #   TPL_DOCKERFILE: docker/Stanford/Dockerfile
+          #   DOCKER_ROOT_IMAGE: matteofrigo5/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11-cmake3.31.4-no-geosx:0.0.1
+          #   SPEC: "~pygeosx~openmp %[email protected]"
+          #   INSTALL_DIR_ROOT: /oak/stanford/groups/tchelepi/geos-sherlock/CPU
+          #   RUNS_ON: ubuntu-latest
+          # - name: Sherlock GPU (centos 7.9.2009, gcc 10.1.0, open-mpi 4.1.2, cuda 12.4.0, openblas 0.3.10, zlib 1.2.11)
+          #   DOCKER_REPOSITORY: geosx/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11
+          #   TPL_DOCKERFILE: docker/Stanford/Dockerfile
+          #   DOCKER_ROOT_IMAGE: matteofrigo5/sherlock-gcc10.1.0-openmpi4.1.2-cuda12.4.0-openblas0.3.10-zlib1.2.11-cmake3.31.4-no-geosx:0.0.1
+          #   SPEC: "~pygeosx~openmp cuda_arch=70 %[email protected] ^[email protected]+allow-unsupported-compilers"
+          #   INSTALL_DIR_ROOT: /oak/stanford/groups/tchelepi/geos-sherlock/GPU
+          #   RUNS_ON: ubuntu-latest
 
     steps:
     - name: Checkout

.gitignore

@@ -6,3 +6,4 @@
 .vscode/
 spack-*.txt
 __pycache__
+uberenv_*

.uberenv_config.json

@@ -4,7 +4,8 @@
 "package_final_phase": "lvarray_hostconfig",
 "package_source_dir": "../..",
 "spack_url": "https://github.com/spack/spack",
-"spack_commit": "2bfcc69fa870d3c6919be87593f22647981b648a",
+"spack_commit": "734c5db2121b01c373eed6538e452f18887e9e44",
 "spack_configs_path": "scripts/spack_configs",
-"spack_packages_path": "scripts/spack_packages/packages"
+"spack_packages_path": "scripts/spack_packages/packages",
+"spack_packages_commit": "a75a7f75182ffc7a51c6ca7f0fec4bf9b2705be8"
 }

docker/TotalEnergies/Pangea3.Dockerfile

@@ -48,9 +48,11 @@ RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \
      ln -s /usr/lib64/libnsl.so.2.0.0  /usr/lib64/libnsl.so && \
      ln -s /usr/lib64/librdmacm.so.1.3.48.0  /usr/lib64/librdmacm.so && \
      ln -s /usr/lib64/liblustreapi.so.1 /usr/lib64/liblustreapi.so && \
+     ln -s /data_local/sw/lsf/10.1/linux3.10-glibc2.17-ppc64le/lib/libbat.so /usr/lib64/libbat.so && \
+     ln -s /data_local/sw/lsf/10.1/linux3.10-glibc2.17-ppc64le/lib/liblsf.so /usr/lib64/liblsf.so && \
 # Run uberenv
      ./scripts/uberenv/uberenv.py \
-       --spec "%[email protected]+cuda~uncrustify~openmp~pygeosx cuda_arch=70 ^[email protected]+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \
+       --spec "+cuda~uncrustify~openmp~pygeosx cuda_arch=70 %gcc-9 ^[email protected]+allow-unsupported-compilers ^caliper~gotcha~sampler~libunwind~libdw~papi" \
        --spack-env-file=${SRC_DIR}/docker/pangea-spack.yaml \
        --project-json=.uberenv_config.json \
        --prefix ${GEOSX_TPL_DIR} \
@@ -61,7 +63,7 @@ RUN --mount=src=.,dst=$SRC_DIR,readwrite cd ${SRC_DIR} && \
      cp *.cmake /spack-generated-wave-solver-only.cmake && \
 # Remove extraneous spack files
      cd ${GEOSX_TPL_DIR} && \
-     rm -rf bin/ build_stage/ misc_cache/ spack/ spack_env/ .spack-db/
+     rm -rf bin/ build_stage/ builtin_spack_packages_repo/ misc_cache/ spack/ spack_env/ .spack-db/
 
 # Build only the wave solver for Pangea 3
 RUN echo 'set ( GEOS_ENABLE_CONTACT OFF CACHE BOOL "" FORCE )' >> /spack-generated-wave-solver-only.cmake && \

docker/pangea-spack.yaml

@@ -17,31 +17,41 @@ spack:
   - ../defaults.yaml
   - ../versions.yaml
 
-  compilers::
-  - compiler:
-      spec: gcc@=9.4.0
-      paths:
-        cc: /data_local/sw/spack/0.17.0/opt/spack/linux-rhel8-power9le/gcc-8.4.1/gcc-9.4.0-xe5cqnyajaqz75up3gflln5zlj2rue5v/bin/gcc
-        cxx: /data_local/sw/spack/0.17.0/opt/spack/linux-rhel8-power9le/gcc-8.4.1/gcc-9.4.0-xe5cqnyajaqz75up3gflln5zlj2rue5v/bin/g++
-        f77: /data_local/sw/spack/0.17.0/opt/spack/linux-rhel8-power9le/gcc-8.4.1/gcc-9.4.0-xe5cqnyajaqz75up3gflln5zlj2rue5v/bin/gfortran
-        fc: /data_local/sw/spack/0.17.0/opt/spack/linux-rhel8-power9le/gcc-8.4.1/gcc-9.4.0-xe5cqnyajaqz75up3gflln5zlj2rue5v/bin/gfortran
-      flags: {}
-      operating_system: almalinux8
-      target: ppc64le
-      modules: []
-      environment:
-        prepend_path:
-          LD_LIBRARY_PATH: /data_local/sw/lsf/10.1/linux3.10-glibc2.17-ppc64le/lib
-      extra_rpaths: []
+  toolchains:
+    gcc-9:
+      - spec: '%[email protected]'
+        when: '%c'
+      - spec: '%[email protected]'
+        when: '%cxx'
+      - spec: '%[email protected]'
+        when: '%fortran'
+      - spec: '%[email protected]'
+        when: '%mpi'
 
   packages:
     all:
       target: [x86_64]
-      compiler: [gcc]
-      providers:
-        blas: [openblas]
-        lapack: [openblas]
-        mpi: [openmpi]
+
+    mpi:
+      require:
+      - openmpi
+
+    blas:
+      require:
+      - "openblas"
+    lapack:
+      require:
+      - "openblas"
+
+    gcc:
+      externals:
+      - spec: [email protected] languages:='c,c++,fortran'
+        prefix: /data_local/sw/spack/0.17.0/opt/spack/linux-rhel8-power9le/gcc-8.4.1/gcc-9.4.0-xe5cqnyajaqz75up3gflln5zlj2rue5v
+        extra_attributes:
+          compilers:
+            c: /data_local/sw/spack/0.17.0/opt/spack/linux-rhel8-power9le/gcc-8.4.1/gcc-9.4.0-xe5cqnyajaqz75up3gflln5zlj2rue5v/bin/gcc
+            cxx: /data_local/sw/spack/0.17.0/opt/spack/linux-rhel8-power9le/gcc-8.4.1/gcc-9.4.0-xe5cqnyajaqz75up3gflln5zlj2rue5v/bin/g++
+            fortran: /data_local/sw/spack/0.17.0/opt/spack/linux-rhel8-power9le/gcc-8.4.1/gcc-9.4.0-xe5cqnyajaqz75up3gflln5zlj2rue5v/bin/gfortran
 
     autoconf:
       externals:
@@ -94,10 +104,6 @@ spack:
       - spec: [email protected]
         prefix: /data_local/sw/spack/0.17.0/opt/spack/linux-rhel8-power9le/gcc-9.4.0/openblas-0.3.18-vk36pzksytuhylqesg4cca7667np5sjp
       buildable: false
-    blas:
-      buildable: false
-    lapack:
-      buildable: false
 
     libtool:
       externals:
@@ -110,13 +116,9 @@ spack:
         prefix: /usr
       buildable: false
 
-    # Spack may grab for mpi & we don't want to use them
-    mpi:
-      buildable: false
-
     openmpi:
       externals:
-      - spec: [email protected]%[email protected] +cuda~cxx~cxx_exceptions~java+lustre~memchecker+pmi+static~wrapper-rpath schedulers=lsf
+      - spec: [email protected] +cuda~cxx~cxx_exceptions~java+lustre~memchecker+pmi+static~wrapper-rpath schedulers=lsf %[email protected]
         prefix: /data_local/sw/openmpi/4.1.2/env/gcc-8.4.1
 
     # Built-in ncurses causes spack failure
@@ -137,7 +139,7 @@ spack:
       buildable: false
     python:
       externals:
-      - spec: [email protected]+bz2+crypt+ctypes+dbm+lzma+nis+pyexpat~pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib
+      - spec: [email protected]+bz2+crypt+ctypes+dbm+lzma+pyexpat~pythoncmd+readline+sqlite3+ssl~tkinter+uuid+zlib
         prefix: /usr
       buildable: false
     readline:

docker/rocky-spack.yaml

@@ -17,44 +17,62 @@ spack:
   - ../defaults.yaml
   - ../versions.yaml
 
-  compilers::
-  - compiler:
-      extra_rpaths: []
-      flags:
-        cflags: -pthread
-        cxxflags: -pthread
-      modules: []
-      operating_system: rocky8
-      paths:
-        cc: /usr/bin/clang
-        cxx: /usr/bin/clang++
-        f77: /usr/bin/gfortran
-        fc: /usr/bin/gfortran
-      spec: [email protected]
-      target: x86_64
-  - compiler:
-      extra_rpaths: []
-      flags:
-        cflags: -pthread
-        cxxflags: -pthread
-      modules: []
-      operating_system: rocky8
-      paths:
-        cc: /opt/rh/gcc-toolset-13/root/usr/bin/gcc
-        cxx: /opt/rh/gcc-toolset-13/root/usr/bin/g++
-        f77: /opt/rh/gcc-toolset-13/root/usr/bin/gfortran
-        fc: /opt/rh/gcc-toolset-13/root/usr/bin/gfortran
-      spec: [email protected]
-      target: x86_64
+  toolchains:
+    gcc-13:
+      - spec: cxxflags='-pthread'
+      - spec: cflags='-pthread'
+      - spec: '%[email protected]'
+        when: '%c'
+      - spec: '%[email protected]'
+        when: '%cxx'
+      - spec: '%[email protected]'
+        when: '%fortran'
+      - spec: '%[email protected]'
+        when: '%mpi'
+    clang-17:
+      - spec: cxxflags='-pthread'
+      - spec: cflags='-pthread'
+      - spec: '%[virtuals=c][email protected]+clang~flang~lld~lldb'
+        when: '%c'
+      - spec: '%[virtuals=cxx][email protected]+clang~flang~lld~lldb'
+        when: '%cxx'
+      - spec: '%[virtuals=fortran][email protected]'
+        when: '%fortran'
+      - spec: '%[email protected]'
+        when: '%mpi'
 
   packages:
     all:
       target: [x86_64]
-      compiler: [gcc, clang]
-      providers:
-        blas: [netlib-lapack]
-        lapack: [netlib-lapack]
-        mpi: [openmpi]
+
+    mpi:
+      require:
+      - openmpi
+
+    blas:
+      require:
+      - "netlib-lapack"
+    lapack:
+      require:
+      - "netlib-lapack"
+
+    llvm:
+      externals:
+      - spec: [email protected]+clang~flang~lld~lldb
+        prefix: /usr
+        extra_attributes:
+          compilers:
+            c: /usr/bin/clang
+            cxx: /usr/bin/clang++
+    gcc:
+      externals:
+      - spec: [email protected] languages:='c,c++,fortran'
+        prefix: /opt/rh/gcc-toolset-13/root/usr
+        extra_attributes:
+          compilers:
+            c: /opt/rh/gcc-toolset-13/root/usr/bin/gcc
+            cxx: /opt/rh/gcc-toolset-13/root/usr/bin/g++
+            fortran: /opt/rh/gcc-toolset-13/root/usr/bin/gfortran
 
     autoconf:
       version: [2.71]
@@ -77,20 +95,16 @@ spack:
     cuda:
       buildable: False
       externals:
-      - spec: [email protected]%[email protected] +allow-unsupported-compilers
+      - spec: [email protected] +allow-unsupported-compilers %[email protected]
         prefix: /usr/local/cuda
-      - spec: [email protected]%[email protected] +allow-unsupported-compilers
+      - spec: [email protected] +allow-unsupported-compilers %[email protected]
         prefix: /usr/local/cuda
     m4:
       buildable: false
       externals:
       - spec: [email protected]
         prefix: /usr
 
-    # Spack may grab for mpi & we don't want to use them
-    mpi:
-      buildable: false
-
     netlib-lapack:
       buildable: false
       externals: