git: fe68eefbb1bb - main - science/tblite: update 0.3.0 → 0.4.0

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From: Yuri Victorovich <yuri_at_FreeBSD.org>
Date: Tue, 19 Nov 2024 09:29:17 UTC
The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=fe68eefbb1bb79aa1f1a2444caacb333a814c869

commit fe68eefbb1bb79aa1f1a2444caacb333a814c869
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2024-11-19 06:21:14 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2024-11-19 09:29:08 +0000

    science/tblite: update 0.3.0 → 0.4.0
    
    Reported by:    portscout
---
 science/tblite/Makefile  |  5 +++--
 science/tblite/distinfo  |  6 +++---
 science/tblite/pkg-plist | 17 ++++++++++++++++-
 3 files changed, 22 insertions(+), 6 deletions(-)

diff --git a/science/tblite/Makefile b/science/tblite/Makefile
index d53bda751950..4ea6acc2b2fa 100644
--- a/science/tblite/Makefile
+++ b/science/tblite/Makefile
@@ -1,7 +1,6 @@
 PORTNAME=	tblite
 DISTVERSIONPREFIX=	v
-DISTVERSION=	0.3.0
-PORTREVISION=	3
+DISTVERSION=	0.4.0
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
@@ -28,6 +27,8 @@ USE_GITHUB=	yes
 USE_LDCONFIG=	yes
 
 CMAKE_ON=	BUILD_SHARED_LIBS
+CMAKE_OFF=	WITH_TESTS
+CMAKE_TESTING_ON=	WITH_TESTS
 
 post-patch: # see https://github.com/toml-f/toml-f/issues/51
 	@${REINPLACE_CMD} -e 's|$${CMAKE_Fortran_COMPILER_ID}-$${CMAKE_Fortran_COMPILER_VERSION}||' ${WRKSRC}/config/CMakeLists.txt
diff --git a/science/tblite/distinfo b/science/tblite/distinfo
index 45ef1a2c0abb..5be96927f362 100644
--- a/science/tblite/distinfo
+++ b/science/tblite/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1686109155
-SHA256 (tblite-tblite-v0.3.0_GH0.tar.gz) = 44b6ecff94b29c109f7d1afa3f49eebd3979a2b115fc7bab0c9fc1d7e61bdc27
-SIZE (tblite-tblite-v0.3.0_GH0.tar.gz) = 496111
+TIMESTAMP = 1731994102
+SHA256 (tblite-tblite-v0.4.0_GH0.tar.gz) = c4a67dfbe04827095fd7598183e076fa3017a5a475c4f90fd28e78992dc19ea7
+SIZE (tblite-tblite-v0.4.0_GH0.tar.gz) = 624375
diff --git a/science/tblite/pkg-plist b/science/tblite/pkg-plist
index 41b65992fc61..87b99403b73c 100644
--- a/science/tblite/pkg-plist
+++ b/science/tblite/pkg-plist
@@ -3,6 +3,7 @@ include/tblite.h
 include/tblite/calculator.h
 include/tblite/container.h
 include/tblite/context.h
+include/tblite/double_dictionary.h
 include/tblite/error.h
 include/tblite/macros.h
 include/tblite/param.h
@@ -13,6 +14,7 @@ include/tblite/tblite_adjlist.mod
 include/tblite/tblite_api_calculator.mod
 include/tblite/tblite_api_container.mod
 include/tblite/tblite_api_context.mod
+include/tblite/tblite_api_double_dictionary.mod
 include/tblite/tblite_api_error.mod
 include/tblite/tblite_api_param.mod
 include/tblite/tblite_api_result.mod
@@ -28,6 +30,9 @@ include/tblite/tblite_blas.mod
 include/tblite/tblite_blas_level1.mod
 include/tblite/tblite_blas_level2.mod
 include/tblite/tblite_blas_level3.mod
+include/tblite/tblite_ceh_ceh.mod
+include/tblite/tblite_ceh_h0.mod
+include/tblite/tblite_ceh_singlepoint.mod
 include/tblite/tblite_classical_halogen.mod
 include/tblite/tblite_container.mod
 include/tblite/tblite_container_cache.mod
@@ -59,9 +64,11 @@ include/tblite/tblite_disp_cache.mod
 include/tblite/tblite_disp_d3.mod
 include/tblite/tblite_disp_d4.mod
 include/tblite/tblite_disp_type.mod
+include/tblite/tblite_double_dictionary.mod
 include/tblite/tblite_external_field.mod
 include/tblite/tblite_fit_newuoa.mod
 include/tblite/tblite_fit_settings.mod
+include/tblite/tblite_integral_diat_trafo.mod
 include/tblite/tblite_integral_dipole.mod
 include/tblite/tblite_integral_multipole.mod
 include/tblite/tblite_integral_overlap.mod
@@ -79,6 +86,8 @@ include/tblite/tblite_lapack_sygvd.mod
 include/tblite/tblite_lapack_sygvr.mod
 include/tblite/tblite_mesh_lebedev.mod
 include/tblite/tblite_ncoord.mod
+include/tblite/tblite_ncoord_erf.mod
+include/tblite/tblite_ncoord_erf_en.mod
 include/tblite/tblite_ncoord_exp.mod
 include/tblite/tblite_ncoord_gfn.mod
 include/tblite/tblite_ncoord_type.mod
@@ -93,10 +102,16 @@ include/tblite/tblite_param_element.mod
 include/tblite/tblite_param_halogen.mod
 include/tblite/tblite_param_hamiltonian.mod
 include/tblite/tblite_param_mask.mod
+include/tblite/tblite_param_molecular_moments.mod
 include/tblite/tblite_param_multipole.mod
+include/tblite/tblite_param_post_processing.mod
 include/tblite/tblite_param_repulsion.mod
 include/tblite/tblite_param_serde.mod
 include/tblite/tblite_param_thirdorder.mod
+include/tblite/tblite_post_processing_bond_orders.mod
+include/tblite/tblite_post_processing_list.mod
+include/tblite/tblite_post_processing_molecular_moments.mod
+include/tblite/tblite_post_processing_type.mod
 include/tblite/tblite_repulsion.mod
 include/tblite/tblite_repulsion_effective.mod
 include/tblite/tblite_repulsion_type.mod
@@ -153,5 +168,5 @@ lib/cmake/tblite/tblite-targets.cmake
 lib/cmake/tblite/tblite-utils.cmake
 lib/libtblite.so
 lib/libtblite.so.0
-lib/libtblite.so.0.3.0
+lib/libtblite.so.0.4.0
 libdata/pkgconfig/tblite.pc