diff options
Diffstat (limited to 'science/helfem')
| -rw-r--r-- | science/helfem/Makefile | 9 | ||||
| -rw-r--r-- | science/helfem/distinfo | 8 | ||||
| -rw-r--r-- | science/helfem/files/patch-CMakeLists.txt | 11 | ||||
| -rw-r--r-- | science/helfem/files/patch-src_general_dftfuncs.cpp | 38 | ||||
| -rw-r--r-- | science/helfem/pkg-plist | 21 |
5 files changed, 28 insertions, 59 deletions
diff --git a/science/helfem/Makefile b/science/helfem/Makefile index e468518af7f5..464b6053adcb 100644 --- a/science/helfem/Makefile +++ b/science/helfem/Makefile @@ -1,11 +1,7 @@ PORTNAME= helfem -DISTVERSION= g20210912 -PORTREVISION= 10 +DISTVERSION= g20251026 CATEGORIES= science # chemistry -PATCH_SITES= https://github.com/${GH_ACCOUNT}/${GH_PROJECT}/commit/ -PATCHFILES= 4c0196c3ef3f254a22030eda787105c8a48df919.patch:-p1 # https://github.com/susilehtola/HelFEM/pull/7 - MAINTAINER= yuri@FreeBSD.org COMMENT= Finite element methods for electronic structure calculations WWW= https://github.com/susilehtola/HelFEM @@ -20,11 +16,12 @@ LIB_DEPENDS= libarmadillo.so:math/armadillo \ libxc.so:science/libxc USES= cmake fortran +USE_CXXSTD= c++14 USE_GITHUB= yes GH_ACCOUNT= susilehtola GH_PROJECT= HelFEM -GH_TAGNAME= 21461e9 +GH_TAGNAME= ca3fa54 CMAKE_ON= HELFEM_FIND_DEPS BUILD_SHARED_LIBS diff --git a/science/helfem/distinfo b/science/helfem/distinfo index dced120724b0..2156b0c12092 100644 --- a/science/helfem/distinfo +++ b/science/helfem/distinfo @@ -1,5 +1,3 @@ -TIMESTAMP = 1656098405 -SHA256 (susilehtola-HelFEM-g20210912-21461e9_GH0.tar.gz) = 08dde1f20ff741ca0befbc0472b0264f48be82e083fb4dd34927ef9cd7bffca6 -SIZE (susilehtola-HelFEM-g20210912-21461e9_GH0.tar.gz) = 1020779 -SHA256 (4c0196c3ef3f254a22030eda787105c8a48df919.patch) = 349f730515667da1a85d8646d282208ee26dc3c93a5fd0468dab06ad727593fc -SIZE (4c0196c3ef3f254a22030eda787105c8a48df919.patch) = 573 +TIMESTAMP = 1762390738 +SHA256 (susilehtola-HelFEM-g20251026-ca3fa54_GH0.tar.gz) = 0cc795fc23df945eeb9ca284cdb8ac04a569093775721d47918f4808bb3e3269 +SIZE (susilehtola-HelFEM-g20251026-ca3fa54_GH0.tar.gz) = 1053211 diff --git a/science/helfem/files/patch-CMakeLists.txt b/science/helfem/files/patch-CMakeLists.txt new file mode 100644 index 000000000000..0a3cbc833542 --- /dev/null +++ b/science/helfem/files/patch-CMakeLists.txt @@ -0,0 +1,11 @@ +--- CMakeLists.txt.orig 2025-11-06 01:10:35 UTC ++++ CMakeLists.txt +@@ -1,7 +1,7 @@ project (helfem CXX Fortran) + # CMake project file for HelFEM + cmake_minimum_required (VERSION 3.5) + project (helfem CXX Fortran) +-set(CMAKE_CXX_STANDARD 11) ++set(CMAKE_CXX_STANDARD 14) + + # Ensure we are building out-of-source so that the tests work (issue 120) + get_filename_component(srcdir "${CMAKE_SOURCE_DIR}" REALPATH) diff --git a/science/helfem/files/patch-src_general_dftfuncs.cpp b/science/helfem/files/patch-src_general_dftfuncs.cpp deleted file mode 100644 index 999399167b70..000000000000 --- a/science/helfem/files/patch-src_general_dftfuncs.cpp +++ /dev/null @@ -1,38 +0,0 @@ ---- src/general/dftfuncs.cpp.orig 2021-09-12 09:32:14 UTC -+++ src/general/dftfuncs.cpp -@@ -388,7 +388,7 @@ double exact_exchange(int func_id) { - throw std::runtime_error(oss.str()); - } - --#if XC_MAJOR_VERSION < 6 -+#if XC_MAJOR_VERSION < 7 - switch(func.info->family) - { - #ifdef XC_FAMILY_HYB_LDA -@@ -431,7 +431,7 @@ bool is_supported(int func_id) { - throw std::runtime_error(oss.str()); - } - // Get flag --#if XC_MAJOR_VERSION >= 6 -+#if XC_MAJOR_VERSION > 6 - switch(xc_hyb_type(&func)) { - case(XC_HYB_SEMILOCAL): - case(XC_HYB_HYBRID): -@@ -463,7 +463,7 @@ void is_range_separated(int func_id, bool & erf, bool - throw std::runtime_error(oss.str()); - } - // Get flag --#if XC_MAJOR_VERSION < 6 -+#if XC_MAJOR_VERSION < 7 - erf=(func.info->flags & XC_FLAGS_HYB_CAM) || (func.info->flags & XC_FLAGS_HYB_LC); - yukawa=(func.info->flags & XC_FLAGS_HYB_CAMY) || (func.info->flags & XC_FLAGS_HYB_LCY); - #else -@@ -507,7 +507,7 @@ void range_separation(int func_id, double & omega, dou - throw std::runtime_error(oss.str()); - } - --#if XC_MAJOR_VERSION >= 6 -+#if XC_MAJOR_VERSION > 6 - switch(xc_hyb_type(&func)) { - case(XC_HYB_SEMILOCAL): - break; diff --git a/science/helfem/pkg-plist b/science/helfem/pkg-plist index 115cfa74521a..aab99275cf9c 100644 --- a/science/helfem/pkg-plist +++ b/science/helfem/pkg-plist @@ -3,14 +3,15 @@ bin/diatomic bin/diatomic_cbasis bin/diatomic_cpl bin/gensap -bin/libhelfem-common.so -bin/liblegendre.so -include/helfem.h -include/helfem/GaussianNucleus.h -include/helfem/HollowNucleus.h -include/helfem/ModelPotential.h -include/helfem/PointNucleus.h -include/helfem/PolynomialBasis.h -include/helfem/RadialBasis.h -include/helfem/SphericalNucleus.h +include/FiniteElementBasis.h +include/GaussianNucleus.h +include/HollowNucleus.h +include/ModelPotential.h +include/PointNucleus.h +include/PolynomialBasis.h +include/RadialBasis.h +include/RegularizedNucleus.h +include/SphericalNucleus.h +lib/libhelfem-common.so lib/libhelfem.so +lib/liblegendre.so |