git: ff071caeaaaf - main - science/ukrmol+: Fix tests

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From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Wed, 25 May 2022 20:19:04 UTC
The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=ff071caeaaaf9d8d9dffd1f0a106759ce943351d

commit ff071caeaaaf9d8d9dffd1f0a106759ce943351d
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-05-25 20:18:07 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-05-25 20:19:02 +0000

    science/ukrmol+: Fix tests
    
    ... by adding the "in" part of the project required to run tests.
---
 science/ukrmol+/Makefile                       | 26 +++++++--
 science/ukrmol+/distinfo                       |  4 +-
 science/ukrmol+/files/patch-CMakeLists.txt     | 14 ++---
 science/ukrmol+/files/patch-out-CMakeLists.txt | 11 ++++
 science/ukrmol+/pkg-plist                      | 77 ++++++++++++++++++++++++++
 5 files changed, 120 insertions(+), 12 deletions(-)

diff --git a/science/ukrmol+/Makefile b/science/ukrmol+/Makefile
index 966a9639df91..8d54c89ca671 100644
--- a/science/ukrmol+/Makefile
+++ b/science/ukrmol+/Makefile
@@ -1,8 +1,11 @@
 PORTNAME=	ukrmol+
 DISTVERSION=	3.2
+PORTREVISION=	1
 CATEGORIES=	science # chemistry, physics
-MASTER_SITES=	https://zenodo.org/record/5799134/files/
-DISTNAME=	ukrmol-out-${DISTVERSION}
+MASTER_SITES=	https://zenodo.org/record/5799134/files/:out \
+		https://zenodo.org/record/5799110/files/:in # the project is a sum of two projects
+DISTFILES=	ukrmol-out-${DISTVERSION}${EXTRACT_SUFX}:out \
+		ukrmol-in-${DISTVERSION}${EXTRACT_SUFX}:in
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Code to compute electron and positron scattering from molecules
@@ -14,19 +17,34 @@ LIB_DEPENDS=	libGBTO.so:science/gbtolib \
 		libgsl.so:math/gsl \
 		libopenblas.so:math/openblas
 
-USES=		cmake:testing fortran localbase python:test
+USES=		cmake:testing fortran localbase:ldflags python:test
 
 CMAKE_ON=	BUILD_SHARED_LIBS WITH_GSL
-CMAKE_OFF=	BUILD_DOC WITH_GIT BUILD_TESTING
+CMAKE_OFF=	WITH_MPI BUILD_DOC WITH_GIT BUILD_TESTING
 CMAKE_TESTING_ON=	BUILD_TESTING # test executables aren't built, see https://gitlab.com/Uk-amor/UKRMol/UKRmol-out/-/issues/40
 CMAKE_ARGS=	-DFREEBSD_DOCSDIR=${DOCSDIR} \
 		-DFREEBSD_PYTHON_VER=${PYTHON_VER}
+CMAKE_ARGS+=	-DUKRMOL_OUT_DIR=${WRKSRC_OUT} # the "out" project is built and installed from the "in" project
 
 FFLAGS+=	-I${LOCALBASE}/include/gbtolib
 LDFLAGS+=	-lGBTO
 
+WRKSRC_OUT=	${WRKDIR}/ukrmol-out-${PORTVERSION}
+WRKSRC_IN=	${WRKDIR}/ukrmol-in-${PORTVERSION}
+WRKSRC=		${WRKSRC_IN}
+
 OPTIONS_DEFINE=	DOCS
 
 PORTDOCS=	*
 
+post-extract:
+	@cd ${WRKDIR} && ${LN} -s ukrmol-out-${PORTVERSION} ukrmol-out
+
+post-install:
+	# remove GBTOlib that it bundles
+	@cd ${STAGEDIR}${PREFIX} && \
+		${RM} -r bin/basis_read bin/print_orbital_table bin/scatci_integrals include/gbtolib lib/libGBTO.so
+	# remove an empty directory
+	@${RMDIR} ${STAGEDIR}${PREFIX}/include/den
+
 .include <bsd.port.mk>
diff --git a/science/ukrmol+/distinfo b/science/ukrmol+/distinfo
index 60ac14f100c5..1407e245870c 100644
--- a/science/ukrmol+/distinfo
+++ b/science/ukrmol+/distinfo
@@ -1,3 +1,5 @@
-TIMESTAMP = 1653437446
+TIMESTAMP = 1653460437
 SHA256 (ukrmol-out-3.2.tar.gz) = 9d3acc132c4128957d0a34ac8700924d3efdb7b84e37107fad6f80ac840aee59
 SIZE (ukrmol-out-3.2.tar.gz) = 3722605
+SHA256 (ukrmol-in-3.2.tar.gz) = b93017d8d82a359a72f0f2326cef67c5499f3f97b518ec2a9befbfb214b5ecb4
+SIZE (ukrmol-in-3.2.tar.gz) = 8934306
diff --git a/science/ukrmol+/files/patch-CMakeLists.txt b/science/ukrmol+/files/patch-CMakeLists.txt
index 1c996a58e98d..e5ecb0c130e0 100644
--- a/science/ukrmol+/files/patch-CMakeLists.txt
+++ b/science/ukrmol+/files/patch-CMakeLists.txt
@@ -1,11 +1,11 @@
---- CMakeLists.txt.orig	2022-05-25 00:18:51 UTC
+--- CMakeLists.txt.orig	2022-05-25 19:28:26 UTC
 +++ CMakeLists.txt
-@@ -146,7 +146,7 @@ if(BUILD_TESTING)
-     add_subdirectory(tests/suite)
- endif()
+@@ -203,7 +203,7 @@ endif()
  
--install(DIRECTORY "${CMAKE_CURRENT_LIST_DIR}/doc" DESTINATION "${CMAKE_INSTALL_PREFIX}")
-+install(DIRECTORY "${CMAKE_CURRENT_LIST_DIR}/doc" DESTINATION "${FREEBSD_DOCSDIR}")
+ # install documentation
+ install(DIRECTORY "${CMAKE_CURRENT_LIST_DIR}/doc"
+-        DESTINATION "${CMAKE_INSTALL_PREFIX}")
++        DESTINATION "${FREEBSD_DOCSDIR}")
  
  # -------------------------------------------------------------------------------------------------------#
- # Define distribution release target (make dist)
+ # Define distribution release target (make dist)                                                         #
diff --git a/science/ukrmol+/files/patch-out-CMakeLists.txt b/science/ukrmol+/files/patch-out-CMakeLists.txt
new file mode 100644
index 000000000000..78c7be434497
--- /dev/null
+++ b/science/ukrmol+/files/patch-out-CMakeLists.txt
@@ -0,0 +1,11 @@
+--- ../ukrmol-out/CMakeLists.txt.orig	2022-05-25 00:18:51 UTC
++++ ../ukrmol-out/CMakeLists.txt
+@@ -146,7 +146,7 @@ if(BUILD_TESTING)
+     add_subdirectory(tests/suite)
+ endif()
+ 
+-install(DIRECTORY "${CMAKE_CURRENT_LIST_DIR}/doc" DESTINATION "${CMAKE_INSTALL_PREFIX}")
++install(DIRECTORY "${CMAKE_CURRENT_LIST_DIR}/doc" DESTINATION "${FREEBSD_DOCSDIR}")
+ 
+ # -------------------------------------------------------------------------------------------------------#
+ # Define distribution release target (make dist)
diff --git a/science/ukrmol+/pkg-plist b/science/ukrmol+/pkg-plist
index 1fe3bcbdfb24..3c15ba1fb70c 100644
--- a/science/ukrmol+/pkg-plist
+++ b/science/ukrmol+/pkg-plist
@@ -1,29 +1,91 @@
 bin/borncros
 bin/bound
+bin/cdenprop
+bin/cdenprop_all
+bin/congen
 bin/dcs
+bin/denprop
 bin/dipelm
 bin/dipole_tools
 bin/eigenp
+bin/gtobas
 bin/ixsecs
 bin/kmatadgeneral
+bin/mpi-scatci
 bin/mpi_rsolve
 bin/multidip
+bin/numcbas
+bin/numsbas
 bin/outer
 bin/outer-run
 bin/pfarm_interface
+bin/phase_match
+bin/phase_match_orbitals
+bin/radden
 bin/rates
 bin/reson
 bin/rmt_interface
 bin/rsolve
+bin/scatci
 bin/swinterf
 bin/timedel
 bin/tmatrx
+include/bas/gtobas_data.mod
+include/bas/numcbas_data.mod
+include/cdenprop/cdenprop_aux.mod
+include/cdenprop/cdenprop_defs.mod
+include/cdenprop/cdenprop_io.mod
+include/cdenprop/cdenprop_procs.mod
+include/cdenprop/class_coosparsematrix_integer.mod
+include/cdenprop/class_coosparsematrix_real.mod
+include/cdenprop/class_molecular_properties_data.mod
+include/cdenprop/class_namelists.mod
+include/ci-diag/alchemy_module.mod
+include/ci-diag/baseintegral_module.mod
+include/ci-diag/basematrix_module.mod
+include/ci-diag/ci_hamiltonian_module.mod
+include/ci-diag/consts_mpi_ci.mod
+include/ci-diag/contracted_hamiltonian_module.mod
+include/ci-diag/contracted_symbolic_module.mod
+include/ci-diag/csf_module.mod
+include/ci-diag/davidsondiagonalizer_module.mod
+include/ci-diag/diagonalizer_module.mod
+include/ci-diag/diagonalizerresult_module.mod
+include/ci-diag/dispatcher_module.mod
+include/ci-diag/distributedmatrix_module.mod
+include/ci-diag/hamiltonian_module.mod
+include/ci-diag/lapackdiagonalizer_module.mod
+include/ci-diag/m_2_matrix_sparse.mod
+include/ci-diag/matrixcache_module.mod
+include/ci-diag/matrixelement_module.mod
+include/ci-diag/memorymanager_module.mod
+include/ci-diag/options_module.mod
+include/ci-diag/orbital_module.mod
+include/ci-diag/parallelization_module.mod
+include/ci-diag/postprocessing_module.mod
+include/ci-diag/scatci_data.mod
+include/ci-diag/scatci_routines.mod
+include/ci-diag/solutionhandler_module.mod
+include/ci-diag/sweden_module.mod
+include/ci-diag/symbolic_module.mod
+include/ci-diag/target_rmat_ci_module.mod
+include/ci-diag/timing_module.mod
+include/ci-diag/ukrmol_module.mod
+include/ci-diag/uncontracted_hamiltonian_module.mod
+include/ci-diag/utility_module.mod
+include/ci-diag/writermatrix_module.mod
 include/compak/blas95_compak.mod
 include/compak/compak_defs.mod
 include/compak/compak_procs.mod
 include/compak/lapack95_compak.mod
 include/compak/photo_outerio.mod
 include/compak/read_inner_dipoles.mod
+include/congen/congen_bstree.mod
+include/congen/congen_data.mod
+include/congen/congen_distribution.mod
+include/congen/congen_driver.mod
+include/congen/congen_pagecontrol.mod
+include/congen/congen_projection.mod
 include/dipelm/anglib.mod
 include/dipelm/angmom_procs.mod
 include/dipelm/dipelm_defs.mod
@@ -37,6 +99,14 @@ include/dipelm/dipelmio.mod
 include/dipelm/dipelmprocs.mod
 include/dipelm/properties_file_mod.mod
 include/dipelm/sorting.mod
+include/global/algorithms.mod
+include/global/consts.mod
+include/global/containers.mod
+include/global/params.mod
+include/global/precisn.mod
+include/global/swmol3_data.mod
+include/global/version_control.mod
+include/interfaces/maths.mod
 include/multidip/multidip_integ.mod
 include/multidip/multidip_io.mod
 include/multidip/multidip_levin.mod
@@ -53,10 +123,17 @@ include/outer/numeric.mod
 include/outer/rmt_molecular_interface.mod
 include/outer/userdefkmat.mod
 include/outer/version_control.mod
+include/utilities/global_utils.mod
+include/utilities/integer_packing.mod
+lib/libcdenprop.so
 lib/libcompak.so
 lib/libcouplings.so
 lib/libdipelm.so
 lib/libmultidip.so
 lib/libouter.so
 lib/librmt_interface.so
+lib/libscatci.so
+lib/libukplus_global.so
+lib/libukplus_interfaces.so
+lib/libukplus_utilities.so
 lib/libutil.so