science/libpsml: New port: Library to handle pseudopotentials in PSML format

science/Makefile

@@ -159,6 +159,7 @@
     SUBDIR += libmsym
     SUBDIR += libnegf
     SUBDIR += liboglappth
+    SUBDIR += libpsml
     SUBDIR += libquantum
     SUBDIR += libssm
     SUBDIR += libsvm

science/libpsml/Makefile

@@ -0,0 +1,23 @@
+PORTNAME=	libpsml
+DISTVERSION=	2.1.0
+CATEGORIES=	science # quantum-chemistry
+
+MAINTAINER=	yuri@FreeBSD.org
+COMMENT=	Library to handle pseudopotentials in PSML format
+WWW=		https://gitlab.com/siesta-project/libraries/libpsml
+
+LICENSE=	BSD3CLAUSE
+LICENSE_FILE=	${WRKSRC}/LICENSE
+
+LIB_DEPENDS=	libxmlf90.so:textproc/xmlf90
+
+USES=		cmake fortran
+USE_LDCONFIG=	yes
+
+USE_GITLAB=	yes
+GL_ACCOUNT=	siesta-project/libraries
+GL_TAGNAME=	508cffb93bcb2137a64472f4d9623ba42748aaa9
+
+CMAKE_ON=	BUILD_SHARED_LIBS
+
+.include <bsd.port.mk>

science/libpsml/distinfo

@@ -0,0 +1,3 @@
+TIMESTAMP = 1725241484
+SHA256 (siesta-project/libraries-libpsml-508cffb93bcb2137a64472f4d9623ba42748aaa9_GL0.tar.gz) = 100b1cd45cb573bfaf35c6c1561f7686e4856d65b5d1545b9d71aa8ffd170bc7
+SIZE (siesta-project/libraries-libpsml-508cffb93bcb2137a64472f4d9623ba42748aaa9_GL0.tar.gz) = 866992

science/libpsml/files/patch-CMakeLists.txt

@@ -0,0 +1,11 @@
+--- CMakeLists.txt.orig	2024-09-02 01:46:42 UTC
++++ CMakeLists.txt
+@@ -75,7 +75,7 @@ set(module-dir
+ include(GNUInstallDirs)
+ 
+ set(module-dir
+-  "${PROJECT_NAME}/${CMAKE_Fortran_COMPILER_ID}-${CMAKE_Fortran_COMPILER_VERSION}"
++  "${PROJECT_NAME}"
+ )
+ 
+ target_include_directories(

science/libpsml/pkg-descr

@@ -0,0 +1,4 @@
+libPSML is a library for handling PSML pseudopotential files.
+
+The psml format and library are used for norm-conserving pseudopotential data
+curation and interoperability.

science/libpsml/pkg-plist

@@ -0,0 +1,24 @@
+include/libpsml/m_psml.mod
+include/libpsml/m_psml_api.mod
+include/libpsml/m_psml_assoc_list.mod
+include/libpsml/m_psml_class_grid.mod
+include/libpsml/m_psml_core.mod
+include/libpsml/m_psml_dump.mod
+include/libpsml/m_psml_external_interfaces.mod
+include/libpsml/m_psml_interp.mod
+include/libpsml/m_psml_parsing_helpers.mod
+include/libpsml/m_psml_ps_edit.mod
+include/libpsml/m_psml_reader.mod
+include/libpsml/m_psml_strings_helpers.mod
+include/libpsml/m_psml_tables.mod
+lib/cmake/libpsml/FindCustomxmlf90.cmake
+lib/cmake/libpsml/LibpsmlFindPackage.cmake
+lib/cmake/libpsml/check_xmlf90_stat.cmake
+lib/cmake/libpsml/libpsml-config-version.cmake
+lib/cmake/libpsml/libpsml-config.cmake
+lib/cmake/libpsml/libpsml-targets-%%CMAKE_BUILD_TYPE%%.cmake
+lib/cmake/libpsml/libpsml-targets.cmake
+lib/libpsml.so
+lib/libpsml.so.2
+lib/libpsml.so.2.1.0
+libdata/pkgconfig/libpsml.pc