{numlib}[foss/2021a] PETSc v3.17.0 w/ Python 3.9.5

easybuild/easyconfigs/p/PETSc/PETSc-3.17.0-foss-2021a.eb

@@ -0,0 +1,85 @@
+# Updated to version 3.17.0 with significantly more modules added
+# J. Sassmannshausen ICL/UK 
+
+easyblock = 'ConfigureMake'
+
+name = 'PETSc'
+version = '3.17.0'
+
+homepage = 'https://www.mcs.anl.gov/petsc'
+description = """PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the
+ scalable (parallel) solution of scientific applications modeled by partial differential equations.
+
+This installation is build with significant amounts of modules in it compared to previous versions."""
+
+toolchain = {'name': 'foss', 'version': '2021a'}
+toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
+
+source_urls = [
+    'https://ftp.mcs.anl.gov/pub/petsc/release-snapshots/',
+    'ftp://ftp.mcs.anl.gov/pub/petsc/release-snapshots/',
+]
+sources = [SOURCELOWER_TAR_GZ]
+patches = [
+    'webclient-3.17.0.patch',
+]
+checksums = [
+    '96d5aca684e1ce1425891a620d278773c25611cb144165a93b17531238eaaf8a',  # petsc-3.17.0.tar.gz
+    '2ba253df42853385e2683dbc87dfcb66d4ce4bcd84e054efa8f466274f49bc81',  # webclient-3.17.0.patch
+]
+
+builddependencies = [
+    ('Eigen', '3.3.9'),
+    ('CMake', '3.20.1')
+]
+
+dependencies = [
+    ('Python', '3.9.5'),
+    ('SciPy-bundle', '2021.05'),
+    ('Boost', '1.76.0'),
+    ('METIS', '5.1.0'),
+    ('SCOTCH', '6.1.0'),
+    ('MUMPS', '5.4.0', '-metis'),
+    ('SuiteSparse', '5.10.1', '-METIS-5.1.0'),
+    ('Hypre', '2.21.0'),
+    ('zlib', '1.2.11'),
+    ('BLIS', '0.8.1'),
+    ('Szip', '2.1.1'),
+    ('HDF5', '1.10.7'),
+    ('GMP', '6.2.1'),
+    ('GSL', '2.7'),
+    ('libjpeg-turbo', '2.0.6'),
+    ('libpng', '1.6.37'),
+    ('giflib', '5.2.1'),
+    ('OpenSSL', '1.1', '', SYSTEM),
+    ('libyaml', '0.2.5'),
+    ('zstd', '1.4.9'),
+    ('Mmg', '5.6.0'),
+    ('MPFR', '4.1.0'),
+    ('googletest', '1.11.0'),
+    ('muParser', '2.3.3'),
+    ('ParMETIS', '4.0.3'),
+    ('SuperLU', '5.3.0'),
+]
+
+# enabling --with-mpi4py seems to be totally broken, leads to make errors like:
+# No rule to make target 'mpi4py-build'
+configopts = '--configModules=PETSc.Configure --optionsModule=config.compilerOptions '
+configopts += '--LIBS="$LIBS -lrt" --with-mpi4py=0 --CXXFLAGS="$CXXFLAGS '
+configopts += '-DOMPI_SKIP_MPICXX -DMPICH_SKIP_MPICXX" --with-mpi=1 --with-build-step-np=4 '
+configopts += '--CPPFLAGS="$CPPFLAGS" --F90FLAGS="$F90FLAGS" --FFLAGS="$FFLAGS" --FCFLAGS="$FCFLAGS" '
+configopts += '--with-blaslapack-lib=" -lflexiblas -lgfortran" '
+configopts += '--with-shared-libraries=1 --with-debugging=0 --with-pic=1 --with-x=0 '
+configopts += '--with-windows-graphics=0 --with-numpy=1 --with-fftw=1 --with-scalapack=1 '
+configopts += '--with-python=1 --with-boost=1 --with-metis=1 -with-ptscotch=1 --with-mumps=1 '
+configopts += '--with-hypre=1  --with-suitesparse=1 --with-hwloc=1 --with-openmp=1 --with-zlib=1 --with-blis=1 '
+configopts += '--with-hdf5=1 --with-eigen=1 --with-parmetis=1 --with-gmp=1 --with-gsl=1 --with-libjpeg=1 '
+configopts += '--with-libpng=1 --with-yaml=1 --with-zstd=1 --with-ssl=1 --with-triangle=0 --with-giflib=1 '
+configopts += '--with-superlu=1 '
+
+sanity_check_paths = {
+    'files': ['lib/libpetsc.%s' % SHLIB_EXT],
+    'dirs': ['include', 'share']
+}
+
+moduleclass = 'numlib'

easybuild/easyconfigs/p/PETSc/webclient-3.17.0.patch

@@ -0,0 +1,69 @@
+Based on https://gitlab.com/petsc/petsc/-/merge_requests/5257
+Author: J. Sassmannshausen / ICL (UK)
+diff --git a/petsc-3.17.0.orig/config/examples/arch-ci-freebsd-cxx-cmplx-pkgs-dbg.py b/petsc-3.17.0/config/examples/arch-ci-freebsd-cxx-cmplx-pkgs-dbg.py
+index ecc3b03..6c6c354 100755
+--- a/petsc-3.17.0.orig/config/examples/arch-ci-freebsd-cxx-cmplx-pkgs-dbg.py
++++ b/petsc-3.17.0/config/examples/arch-ci-freebsd-cxx-cmplx-pkgs-dbg.py
+@@ -36,6 +36,7 @@ configure_options = [
+   '--with-mpi-f90module-visibility=0',
+   '--download-kokkos=1',
+   '--download-kokkos-kernels=1',
++  '--with-ssl=1',
+   ]
+
+ if __name__ == '__main__':
+diff --git a/petsc-3.17.0.orig/config/examples/arch-ci-linux-gcc-pkgs-opt.py b/petsc-3.17.0/config/examples/arch-ci-linux-gcc-pkgs-opt.py
+index 8828156..132e3d6 100755
+--- a/petsc-3.17.0.orig/config/examples/arch-ci-linux-gcc-pkgs-opt.py
++++ b/petsc-3.17.0/config/examples/arch-ci-linux-gcc-pkgs-opt.py
+@@ -28,6 +28,7 @@ configure_options = [
+   '--download-amrex',
+   '--download-hypre',
+   '--download-ks',
++  '--with-ssl=1',
+ ]
+
+ if __name__ == '__main__':
+diff --git a/petsc-3.17.0.orig/src/sys/webclient/box.c b/petsc-3.17.0/src/sys/webclient/box.c
+index d306966..eb2fac7 100644
+--- a/petsc-3.17.0.orig/src/sys/webclient/box.c
++++ b/petsc-3.17.0/src/sys/webclient/box.c
+@@ -304,9 +304,9 @@ PetscErrorCode PetscBoxUpload(MPI_Comm comm,const char access_token[],const char
+     PetscCall(PetscPushJSONValue(body,"mimeType","text.html",len));
+     PetscCall(PetscStrcat(body,","));
+     PetscCall(PetscPushJSONValue(body,"description","a file",len));
+-    ierr = PetscStrcat(body, "}\r\n\r\n"
+-                             "--foo_bar_baz\r\n"
+-                             "Content-Type: text/html\r\n\r\n");PetscCall(ierr);
++    PetscCall(PetscStrcat(body, "}\r\n\r\n"
++                                "--foo_bar_baz\r\n"
++                                "Content-Type: text/html\r\n\r\n"));
+     PetscCall(PetscStrlen(body,&blen));
+     fd = fopen (filename, "r");
+     PetscCheck(fd,PETSC_COMM_SELF,PETSC_ERR_FILE_OPEN,"Unable to open file: %s",filename);
+diff --git a/petsc-3.17.0.orig/src/sys/webclient/client.c b/petsc-3.17.0/src/sys/webclient/client.c
+index dfe6b12..350cac9 100644
+--- a/petsc-3.17.0.orig/src/sys/webclient/client.c
++++ b/petsc-3.17.0/src/sys/webclient/client.c
+@@ -123,7 +123,7 @@ static PetscErrorCode PetscHTTPBuildRequest(const char type[],const char url[],c
+
+   if (header) {
+     PetscCall(PetscStrendswith(header,"\r\n",&flg));
+-    PetscCheck(flg,PETSC_COMM_SELF,PETSC_ERR_ARG_WRONG,"header must end with \\r\");
++    PetscCheck(flg,PETSC_COMM_SELF,PETSC_ERR_ARG_WRONG,"header must end with \\r\\n");
+   }
+
+   PetscCall(PetscStrlen(type,&typelen));
+diff --git a/petsc-3.17.0.orig/src/sys/webclient/google.c b/petsc-3.17.0/src/sys/webclient/google.c
+index 8626b7c..c66f8cc 100644
+--- a/petsc-3.17.0.orig/src/sys/webclient/google.c
++++ b/petsc-3.17.0/src/sys/webclient/google.c
+@@ -158,7 +158,7 @@ PetscErrorCode PetscGoogleDriveUpload(MPI_Comm comm,const char access_token[],co
+     fd = fopen (filename, "r");
+     PetscCheck(fd,PETSC_COMM_SELF,PETSC_ERR_FILE_OPEN,"Unable to open file: %s",filename);
+     rd = fread (body+blen, sizeof (unsigned char), sb.st_size, fd);
+-    PetscCheckFalse(rd != (size_t) sb.st_size,PETSC_COMM_SELF,PETSC_ERR_FILE_OPEN,"Unable to read entire file: %s %d %d",filename,(int)rd,sb.st_size);
++    PetscCheckFalse(rd != (size_t) sb.st_size,PETSC_COMM_SELF,PETSC_ERR_FILE_OPEN,"Unable to read entire file: %s %d %d",filename,(int)rd,(int)sb.st_size);
+     fclose(fd);
+     body[blen + rd] = 0;
+     ierr = PetscStrcat(body,"\r\n\r\n"