fix configure step for ELSI 2.5.0+ (and add missing foss versions)

easybuild/easyconfigs/e/ELSI/ELSI-2.5.0-foss-2019b-PEXSI.eb

@@ -0,0 +1,39 @@
+name = 'ELSI'
+version = '2.5.0'
+versionsuffix = '-PEXSI'
+
+homepage = 'https://wordpress.elsi-interchange.org/'
+description = """ELSI provides and enhances scalable, open-source software library solutions for
+ electronic structure calculations in  materials science, condensed matter physics, chemistry, and many other fields.
+ ELSI focuses on methods that solve or circumvent eigenvalue problems in electronic structure theory.
+ The ELSI infrastructure should also be useful for other challenging eigenvalue problems.
+"""
+
+toolchain = {'name': 'foss', 'version': '2019b'}
+toolchainopts = {'usempi': True, 'pic': True}
+
+source_urls = ['http://wordpress.elsi-interchange.org/wp-content/uploads/2020/02/']
+sources = [SOURCELOWER_TAR_GZ]
+patches = ['%(name)s-%(version)s_fix-compiler-detection.patch']
+checksums = [
+    'f4d77c4291341c9708ab8070dc4ec683577b3556e7d9f214370d626dc6a4753f',
+    '4ffb0bb91fa385ffc4884fe0bb3a8b6ef69107aef9e6f0e8c4f5f19eaf7c0fb5',
+]
+
+builddependencies = [
+    ('flex', '2.6.4'),
+    ('Bison', '3.3.2'),
+    ('CMake', '3.15.3'),
+]
+
+dependencies = [
+    ('ELPA', '2019.11.001'),
+    # SLEPc and internal PEXSI can't coexist due to conflicting dependencies
+    # ('SLEPc', '3.12.2', '-Python-3.7.4'),
+]
+
+build_internal_pexsi = True
+
+runtest = True
+
+moduleclass = 'math'

easybuild/easyconfigs/e/ELSI/ELSI-2.5.0-foss-2019b.eb

@@ -0,0 +1,38 @@
+name = 'ELSI'
+version = '2.5.0'
+
+homepage = 'https://wordpress.elsi-interchange.org/'
+description = """ELSI provides and enhances scalable, open-source software library solutions for
+ electronic structure calculations in  materials science, condensed matter physics, chemistry, and many other fields.
+ ELSI focuses on methods that solve or circumvent eigenvalue problems in electronic structure theory.
+ The ELSI infrastructure should also be useful for other challenging eigenvalue problems.
+"""
+
+toolchain = {'name': 'foss', 'version': '2019b'}
+toolchainopts = {'usempi': True, 'pic': True}
+
+source_urls = ['http://wordpress.elsi-interchange.org/wp-content/uploads/2020/02/']
+sources = [SOURCELOWER_TAR_GZ]
+patches = ['%(name)s-%(version)s_fix-compiler-detection.patch']
+checksums = [
+    'f4d77c4291341c9708ab8070dc4ec683577b3556e7d9f214370d626dc6a4753f',
+    '4ffb0bb91fa385ffc4884fe0bb3a8b6ef69107aef9e6f0e8c4f5f19eaf7c0fb5',
+]
+
+builddependencies = [
+    ('flex', '2.6.4'),
+    ('Bison', '3.3.2'),
+    ('CMake', '3.15.3'),
+]
+
+dependencies = [
+    ('ELPA', '2019.11.001'),
+    ('SLEPc', '3.12.2', '-Python-3.7.4'),
+]
+
+# SLEPc and internal PEXSI can't coexist due to conflicting dependencies
+build_internal_pexsi = False
+
+runtest = True
+
+moduleclass = 'math'

easybuild/easyconfigs/e/ELSI/ELSI-2.5.0-intel-2019b-PEXSI.eb

@@ -14,7 +14,11 @@ toolchainopts = {'usempi': True, 'pic': True}
 
 source_urls = ['http://wordpress.elsi-interchange.org/wp-content/uploads/2020/02/']
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['f4d77c4291341c9708ab8070dc4ec683577b3556e7d9f214370d626dc6a4753f']
+patches = ['%(name)s-%(version)s_fix-compiler-detection.patch']
+checksums = [
+    'f4d77c4291341c9708ab8070dc4ec683577b3556e7d9f214370d626dc6a4753f',
+    '4ffb0bb91fa385ffc4884fe0bb3a8b6ef69107aef9e6f0e8c4f5f19eaf7c0fb5',
+]
 
 builddependencies = [
     ('flex', '2.6.4'),

easybuild/easyconfigs/e/ELSI/ELSI-2.5.0-intel-2019b.eb

@@ -13,7 +13,11 @@ toolchainopts = {'usempi': True, 'pic': True}
 
 source_urls = ['http://wordpress.elsi-interchange.org/wp-content/uploads/2020/02/']
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['f4d77c4291341c9708ab8070dc4ec683577b3556e7d9f214370d626dc6a4753f']
+patches = ['%(name)s-%(version)s_fix-compiler-detection.patch']
+checksums = [
+    'f4d77c4291341c9708ab8070dc4ec683577b3556e7d9f214370d626dc6a4753f',
+    '4ffb0bb91fa385ffc4884fe0bb3a8b6ef69107aef9e6f0e8c4f5f19eaf7c0fb5',
+]
 
 builddependencies = [
     ('flex', '2.6.4'),

easybuild/easyconfigs/e/ELSI/ELSI-2.5.0_fix-compiler-detection.patch

@@ -0,0 +1,40 @@
+Let CMake search for the compilers and only fail if they are not found.
+See https://gitlab.com/elsi_project/elsi_interface/-/merge_requests/304
+
+Author: Alexander Grund (TU Dresden)
+
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index b8d22e53..f1570a8e 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -67,14 +67,18 @@ SET(INC_PATHS "" CACHE STRING "List of include directories")
+ SET(LIBS "" CACHE STRING "List of external libraries to be linked against")
+
+ ### Compilers ###
+-IF(NOT DEFINED CMAKE_Fortran_COMPILER)
++INCLUDE(CheckLanguage)
++
++CHECK_LANGUAGE(Fortran)
++IF(NOT CMAKE_Fortran_COMPILER)
+   MESSAGE(FATAL_ERROR "${MAGENTA}Fortran compiler must be set${COLORRESET}")
+ ELSE()
+   MESSAGE(STATUS "${GREEN}Fortran compiler${COLORRESET}: ${CMAKE_Fortran_COMPILER}")
+   ENABLE_LANGUAGE(Fortran)
+ ENDIF()
+ IF(ENABLE_PEXSI OR ENABLE_C_TESTS OR ELPA2_KERNEL STREQUAL "AVX512" OR ELPA2_KERNEL STREQUAL "AVX2" OR ELPA2_KERNEL STREQUAL "AVX")
+-  IF(NOT DEFINED CMAKE_C_COMPILER)
++  CHECK_LANGUAGE(C)
++  IF(NOT CMAKE_C_COMPILER)
+     MESSAGE(FATAL_ERROR "${MAGENTA}C compiler must be set${COLORRESET}")
+   ELSE()
+     MESSAGE(STATUS "${GREEN}C compiler${COLORRESET}: ${CMAKE_C_COMPILER}")
+@@ -82,7 +86,8 @@ IF(ENABLE_PEXSI OR ENABLE_C_TESTS OR ELPA2_KERNEL STREQUAL "AVX512" OR ELPA2_KER
+   ENDIF()
+ ENDIF()
+ IF(ENABLE_PEXSI)
+-  IF(NOT DEFINED CMAKE_CXX_COMPILER)
++  CHECK_LANGUAGE(CXX)
++  IF(NOT CMAKE_CXX_COMPILER)
+     MESSAGE(FATAL_ERROR "${MAGENTA}C++ compiler must be set${COLORRESET}")
+   ELSE()
+     MESSAGE(STATUS "${GREEN}C++ compiler${COLORRESET}: ${CMAKE_CXX_COMPILER}")

easybuild/easyconfigs/e/ELSI/ELSI-2.6.4-foss-2020b-PEXSI.eb

@@ -16,11 +16,13 @@ source_urls = ['http://wordpress.elsi-interchange.org/wp-content/uploads/2020/11
 sources = [SOURCELOWER_TAR_GZ]
 patches = [
     'pexsi-1.2.0-mpi30.patch',
+    '%(name)s-%(version)s_fix-compiler-detection.patch',
     'ELSI-2.7.1_bison_3.7_compat.patch',
 ]
 checksums = [
     'e43fc12b4954ecd70813fcb45aaef39779f7d9bb5270bbc7246e88d92c8b1dc4',  # elsi-2.6.4.tar.gz
     'd5580de710cee652c27622f167a10933f792546481d9c08d62f452885cb63abb',  # pexsi-1.2.0-mpi30.patch
+    '43b7112e4b0e9e3da2d353947bf3a0b3d1773463d8af831ef335a0e073e95a37',  # ELSI-2.6.4_fix-compiler-detection.patch
     '986f95c2eb22c8a8bef13357a10242dcf0a0fac562c88bdc9bdf46cc6e7a1edb',  # ELSI-2.7.1_bison_3.7_compat.patch
 ]
 

easybuild/easyconfigs/e/ELSI/ELSI-2.6.4-intel-2020b-PEXSI.eb

@@ -16,11 +16,13 @@ source_urls = ['http://wordpress.elsi-interchange.org/wp-content/uploads/2020/11
 sources = [SOURCELOWER_TAR_GZ]
 patches = [
     'pexsi-1.2.0-mpi30.patch',
+    '%(name)s-%(version)s_fix-compiler-detection.patch',
     'ELSI-2.7.1_bison_3.7_compat.patch',
 ]
 checksums = [
     'e43fc12b4954ecd70813fcb45aaef39779f7d9bb5270bbc7246e88d92c8b1dc4',  # elsi-2.6.4.tar.gz
     'd5580de710cee652c27622f167a10933f792546481d9c08d62f452885cb63abb',  # pexsi-1.2.0-mpi30.patch
+    '43b7112e4b0e9e3da2d353947bf3a0b3d1773463d8af831ef335a0e073e95a37',  # ELSI-2.6.4_fix-compiler-detection.patch
     '986f95c2eb22c8a8bef13357a10242dcf0a0fac562c88bdc9bdf46cc6e7a1edb',  # ELSI-2.7.1_bison_3.7_compat.patch
 ]
 

easybuild/easyconfigs/e/ELSI/ELSI-2.6.4_fix-compiler-detection.patch

@@ -0,0 +1,36 @@
+Let CMake search for the compilers and only fail if they are not found.
+See https://gitlab.com/elsi_project/elsi_interface/-/merge_requests/304
+
+Author: Alexander Grund (TU Dresden)
+
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index 3f016ec7..9aaf8395 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -55,18 +55,23 @@ SET(INC_PATHS "" CACHE STRING "List of include directories")
+ SET(LIBS "" CACHE STRING "List of external libraries to be linked against")
+
+ ### Compilers ###
+-IF(NOT DEFINED CMAKE_Fortran_COMPILER)
++INCLUDE(CheckLanguage)
++
++CHECK_LANGUAGE(Fortran)
++IF(NOT CMAKE_Fortran_COMPILER)
+   MESSAGE(FATAL_ERROR "${MAGENTA}Fortran compiler must be set${COLORRESET}")
+ ENDIF()
+ ENABLE_LANGUAGE(Fortran)
+
+-IF(NOT DEFINED CMAKE_C_COMPILER)
++CHECK_LANGUAGE(C)
++IF(NOT CMAKE_C_COMPILER)
+   MESSAGE(FATAL_ERROR "${MAGENTA}C compiler must be set${COLORRESET}")
+ ENDIF()
+ ENABLE_LANGUAGE(C)
+
+ IF(ENABLE_PEXSI)
+-  IF(NOT DEFINED CMAKE_CXX_COMPILER)
++  CHECK_LANGUAGE(CXX)
++  IF(NOT CMAKE_CXX_COMPILER)
+     MESSAGE(FATAL_ERROR "${MAGENTA}C++ compiler must be set${COLORRESET}")
+   ENDIF()
+   ENABLE_LANGUAGE(CXX)

easybuild/easyconfigs/e/ELSI/ELSI-2.7.1-foss-2021a-PEXSI.eb

@@ -16,11 +16,13 @@ source_urls = ['http://wordpress.elsi-interchange.org/wp-content/uploads/2021/03
 sources = [SOURCELOWER_TAR_GZ]
 patches = [
     'pexsi-1.2.0-mpi30.patch',
+    '%(name)s-2.6.4_fix-compiler-detection.patch',
     'ELSI-2.7.1_bison_3.7_compat.patch',
 ]
 checksums = [
     '4a70b6047c39f4e0fd5eca1b2543bfa600acb8305a05ccaaf823ca045f8a4e4d',  # elsi-2.7.1.tar.gz
     'd5580de710cee652c27622f167a10933f792546481d9c08d62f452885cb63abb',  # pexsi-1.2.0-mpi30.patch
+    '43b7112e4b0e9e3da2d353947bf3a0b3d1773463d8af831ef335a0e073e95a37',  # ELSI-2.6.4_fix-compiler-detection.patch
     '986f95c2eb22c8a8bef13357a10242dcf0a0fac562c88bdc9bdf46cc6e7a1edb',  # ELSI-2.7.1_bison_3.7_compat.patch
 ]
 

easybuild/easyconfigs/e/ELSI/ELSI-2.7.1-intel-2021a-PEXSI.eb

@@ -16,11 +16,13 @@ source_urls = ['http://wordpress.elsi-interchange.org/wp-content/uploads/2021/03
 sources = [SOURCELOWER_TAR_GZ]
 patches = [
     'pexsi-1.2.0-mpi30.patch',
+    '%(name)s-2.6.4_fix-compiler-detection.patch',
     'ELSI-2.7.1_bison_3.7_compat.patch',
 ]
 checksums = [
     '4a70b6047c39f4e0fd5eca1b2543bfa600acb8305a05ccaaf823ca045f8a4e4d',  # elsi-2.7.1.tar.gz
     'd5580de710cee652c27622f167a10933f792546481d9c08d62f452885cb63abb',  # pexsi-1.2.0-mpi30.patch
+    '43b7112e4b0e9e3da2d353947bf3a0b3d1773463d8af831ef335a0e073e95a37',  # ELSI-2.6.4_fix-compiler-detection.patch
     '986f95c2eb22c8a8bef13357a10242dcf0a0fac562c88bdc9bdf46cc6e7a1edb',  # ELSI-2.7.1_bison_3.7_compat.patch
 ]