[new-package] dbcsr 2.6.0

mingw-w64-dbcsr/001-fix-build-on-mingw.patch

@@ -0,0 +1,111 @@
+--- a/src/CMakeLists.txt
++++ b/src/CMakeLists.txt
+@@ -264,6 +264,10 @@
+             $<$<STREQUAL:${USE_ACCEL},opencl>:OpenCL::OpenCL>)
+ endif ()
+ 
++if(WIN32)
++  target_link_libraries(dbcsr PRIVATE ws2_32)
++endif()
++
+ # =================================================================================================
+ # DBCSR's C API
+ if (WITH_C_API)
+@@ -302,6 +306,7 @@
+ install(
+   TARGETS dbcsr
+   EXPORT DBCSRTargets
++  RUNTIME DESTINATION "${CMAKE_INSTALL_BINDIR}"
+   LIBRARY DESTINATION "${CMAKE_INSTALL_LIBDIR}"
+   ARCHIVE DESTINATION "${CMAKE_INSTALL_LIBDIR}")
+ install(FILES "${CMAKE_CURRENT_BINARY_DIR}/dbcsr_api.mod"
+--- a/src/base/dbcsr_machine.F
++++ b/src/base/dbcsr_machine.F
+@@ -15,7 +15,7 @@
+                           int_8
+    USE dbcsr_machine_internal, ONLY: &
+       m_abort, m_chdir, m_flush_internal => m_flush, m_getarg, m_getcwd, m_getlog, m_getpid, &
+-      m_hostnm, m_iargc, m_memory, m_memory_details, m_memory_max, m_mov, m_procrun
++      m_hostnm, m_iargc, m_memory, m_memory_details, m_memory_max, m_mov
+ 
+ !$ USE OMP_LIB, ONLY: omp_get_max_threads, omp_get_thread_num, omp_get_num_threads, OMP_GET_WTIME
+ 
+@@ -33,7 +33,7 @@
+    PRIVATE
+ 
+    PUBLIC :: m_walltime, m_datum, m_flush, m_flush_internal, &
+-             m_hostnm, m_getcwd, m_getlog, m_getpid, m_getarg, m_procrun, &
++             m_hostnm, m_getcwd, m_getlog, m_getpid, m_getarg, &
+              m_memory, m_iargc, m_abort, m_chdir, m_mov, m_memory_details, &
+              m_energy, m_memory_max, m_cpuinfo
+ 
+--- a/src/base/dbcsr_machine_posix.f90
++++ b/src/base/dbcsr_machine_posix.f90
+@@ -17,9 +17,9 @@
+   PRIVATE
+ 
+   PUBLIC :: m_flush, m_memory, &
+-            m_hostnm, m_getcwd, m_getlog, m_getuid, m_getpid, m_getarg, &
++            m_hostnm, m_getcwd, m_getlog, m_getpid, m_getarg, &
+             m_iargc, m_abort, m_chdir, m_mov, &
+-            m_memory_details, m_procrun
++            m_memory_details
+ 
+   INTEGER(KIND=int_8), PUBLIC, SAVE :: m_memory_max = 0
+ 
+@@ -49,34 +49,6 @@
+      FLUSH (lunit)
+   END SUBROUTINE m_flush
+ 
+-  FUNCTION m_procrun(pid) RESULT(run_on)
+-     !! Returns if a process is running on the local machine
+-     !! 1 if yes and 0 if not
+-     INTEGER, INTENT(IN)       ::   pid
+-     INTEGER                   ::   run_on
+-     INTEGER                   ::   istat
+-
+-     INTERFACE
+-        FUNCTION kill(pid, sig) BIND(C, name="kill") RESULT(errno)
+-           IMPORT
+-           INTEGER(KIND=C_INT), VALUE                :: pid, sig
+-           INTEGER(KIND=C_INT)                      :: errno
+-        END FUNCTION
+-     END INTERFACE
+-
+-     ! If sig is 0, then no signal is sent, but error checking is still
+-     ! performed; this can be used to check for the existence of a process
+-     ! ID or process group ID.
+-
+-     istat = kill(pid=pid, sig=0)
+-     IF (istat == 0) THEN
+-        run_on = 1 ! no error, process exists
+-     ELSE
+-        run_on = 0 ! error, process probably does not exist
+-     END IF
+-
+-  END FUNCTION m_procrun
+-
+   SUBROUTINE m_memory(mem)
+      !! Returns the total amount of memory [bytes] in use, if known, zero otherwise
+ 
+@@ -326,20 +298,6 @@
+   END SUBROUTINE m_getlog
+ 
+ ! *****************************************************************************
+-  SUBROUTINE m_getuid(uid)
+-     INTEGER, INTENT(OUT)                     :: uid
+-
+-     INTERFACE
+-        FUNCTION getuid() BIND(C, name="getuid") RESULT(uid)
+-           IMPORT
+-           INTEGER(KIND=C_INT)              :: uid
+-        END FUNCTION
+-     END INTERFACE
+-
+-     uid = getuid()
+-  END SUBROUTINE m_getuid
+-
+-! *****************************************************************************
+   SUBROUTINE m_getpid(pid)
+      INTEGER, INTENT(OUT)                     :: pid
+ 

mingw-w64-dbcsr/PKGBUILD

@@ -0,0 +1,66 @@
+# Contributor: Mehdi Chinoune <mehdi.chinoune@hotmail.com>
+
+_realname=dbcsr
+pkgbase=mingw-w64-${_realname}
+pkgname=("${MINGW_PACKAGE_PREFIX}-${_realname}")
+pkgver=2.6.0
+pkgrel=1
+pkgdesc="Distributed Block Compressed Sparse Row matrix library (mingw-w64)"
+arch=('any')
+mingw_arch=('ucrt64')
+url='https://www.cp2k.org/dbcsr'
+msys2_repository_url="https://github.com/cp2k/dbcsr"
+license=('spdx:GPL-2.0-or-later')
+depends=("${MINGW_PACKAGE_PREFIX}-omp"
+         $([[ ${MINGW_PACKAGE_PREFIX} == *-clang-* ]] || echo "${MINGW_PACKAGE_PREFIX}-gcc-libgfortran")
+         #$([[ ${CARCH} != x86_64 ]] || echo "${MINGW_PACKAGE_PREFIX}-libxsmm")
+         "${MINGW_PACKAGE_PREFIX}-openblas")
+makedepends=("${MINGW_PACKAGE_PREFIX}-cc"
+             "${MINGW_PACKAGE_PREFIX}-fc"
+             "${MINGW_PACKAGE_PREFIX}-cmake"
+             "${MINGW_PACKAGE_PREFIX}-ninja"
+             "${MINGW_PACKAGE_PREFIX}-python")
+source=("https://github.com/cp2k/dbcsr/releases/download/v${pkgver}/${_realname}-${pkgver}.tar.gz"
+        "001-fix-build-on-mingw.patch")
+sha256sums=('c67b02ff9abc7c1f529af446a9f01f3ef9e5b0574f220259128da8d5ca7e9dc6'
+            '8d2775a36ddbce65fa45fcdb8c76a1bae3c83b99915d50475831b8cf8c87b346')
+
+prepare() {
+  cd "${srcdir}"/${_realname}-${pkgver}
+
+  patch -Np1 -i "${srcdir}"/001-fix-build-on-mingw.patch
+}
+
+build() {
+  declare -a _extra_config
+  if check_option "debug" "n"; then
+    _extra_config+=("-DCMAKE_BUILD_TYPE=Release")
+  else
+    _extra_config+=("-DCMAKE_BUILD_TYPE=Debug")
+  fi
+
+  MSYS2_ARG_CONV_EXCL="-DCMAKE_INSTALL_PREFIX=" \
+    "${MINGW_PREFIX}"/bin/cmake.exe \
+      -GNinja \
+      -DCMAKE_INSTALL_PREFIX="${MINGW_PREFIX}" \
+      "${_extra_config[@]}" \
+      -DBUILD_SHARED_LIBS=ON \
+      -DUSE_OPENMP=ON \
+      -DUSE_MPI=OFF \
+      -DWITH_C_API=ON \
+      -DBLA_VENDOR=OpenBLAS \
+      -DBUILD_TESTING=OFF \
+      -DWITH_EXAMPLES=OFF \
+      -DPython_EXECUTABLE=${MINGW_PREFIX}/bin/python \
+      -S "${_realname}-${pkgver}" \
+      -B "build-${MSYSTEM}"
+
+  "${MINGW_PREFIX}"/bin/cmake.exe --build "build-${MSYSTEM}"
+}
+
+package() {
+  DESTDIR="${pkgdir}" "${MINGW_PREFIX}"/bin/cmake.exe --install "build-${MSYSTEM}"
+
+  install -Dm644 "${srcdir}"/${_realname}-${pkgver}/LICENSE \
+    "${pkgdir}"${MINGW_PREFIX}/share/licenses/${_realname}/LICENSE
+}