git: 8f29ec93b454 - main - science/atompaw: update 4.2.0.3 → 4.2.0.5

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=8f29ec93b454c890acadf377d7e93a543bf85a28

commit 8f29ec93b454c890acadf377d7e93a543bf85a28
Author:     Thierry Thomas <thierry@FreeBSD.org>
AuthorDate: 2026-03-21 00:13:24 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2026-03-21 00:13:50 +0000

    science/atompaw: update 4.2.0.3 → 4.2.0.5
    
    PR:     293946
---
 science/atompaw/Makefile | 18 ++++++------------
 science/atompaw/distinfo |  6 +++---
 2 files changed, 9 insertions(+), 15 deletions(-)

diff --git a/science/atompaw/Makefile b/science/atompaw/Makefile
index ea635ac01d79..0178900bea72 100644
--- a/science/atompaw/Makefile
+++ b/science/atompaw/Makefile
@@ -1,6 +1,5 @@
 PORTNAME=	atompaw
-DISTVERSION=	4.2.0.3
-PORTREVISION=	3
+DISTVERSION=	4.2.0.5
 CATEGORIES=	science
 MASTER_SITES=	http://users.wfu.edu/natalie/papers/pwpaw/
 
@@ -8,19 +7,14 @@ MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Tool for projector augmented wave functions for molecular simulations
 WWW=		https://users.wfu.edu/natalie/papers/pwpaw/
 
-BROKEN=		fails to build, interpolation_mod.F90:19:8: Fatal Error: Cannot open module file 'io_tools.mod' for reading at (1): No such file or directory
-DEPRECATED=	fails to build, interpolation_mod.F90:19:8: Fatal Error: Cannot open module file 'io_tools.mod' for reading at (1): No such file or directory
-EXPIRATION_DATE=2026-03-19
-
 LICENSE=	GPLv3
 LICENSE_FILE=	${WRKSRC}/COPYING
 
-LIB_DEPENDS=	liblapack.so:math/lapack \
-		libblas.so:math/blas
-
-USES=		fortran gmake libtool
+USES=		blaslapack:openblas fortran gmake libtool
+MAKE_JOBS_UNSAFE=yes
 GNU_CONFIGURE=	yes
-CONFIGURE_ARGS=	--with-linalg-prefix=${LOCALBASE}
+CONFIGURE_ARGS=	--with-linalg-prefix=${LOCALBASE}	\
+		--with-linalg-libs=${BLASLIB}
 
 OPTIONS_DEFINE=		DOCS LIBXC
 OPTIONS_DEFAULT=	LIBXC
@@ -32,6 +26,6 @@ LIBXC_LIB_DEPENDS=	libxc.so:science/libxc
 PORTDOCS=	*
 
 PLIST_FILES=	bin/atompaw \
-		bin/graphatom
+		bin/atompaw_aeonly
 
 .include <bsd.port.mk>
diff --git a/science/atompaw/distinfo b/science/atompaw/distinfo
index 6c276c638f55..3b326411b41d 100644
--- a/science/atompaw/distinfo
+++ b/science/atompaw/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1690356331
-SHA256 (atompaw-4.2.0.3.tar.gz) = 9fd4f9b60e793eee10aead4296e89f0bd6e8612b729a15e2401bbd90e4e9dd2d
-SIZE (atompaw-4.2.0.3.tar.gz) = 5824502
+TIMESTAMP = 1774038493
+SHA256 (atompaw-4.2.0.5.tar.gz) = 45c66e02629252ba1065aa245a277af9528ed5d560c2f11979452a7ec6e99ac8
+SIZE (atompaw-4.2.0.5.tar.gz) = 5861314