svn commit: r478966 - in head: . science science/atom science/atom/files
Yuri Victorovich
yuri at FreeBSD.org
Tue Sep 4 15:05:21 UTC 2018
Author: yuri
Date: Tue Sep 4 15:05:19 2018
New Revision: 478966
URL: https://svnweb.freebsd.org/changeset/ports/478966
Log:
New port: science/atom: Program for DFT calculations in atoms
Added:
head/science/atom/
head/science/atom/Makefile (contents, props changed)
head/science/atom/distinfo (contents, props changed)
head/science/atom/files/
head/science/atom/files/patch-arch.make.sample (contents, props changed)
head/science/atom/pkg-descr (contents, props changed)
Modified:
head/LEGAL
head/science/Makefile
Modified: head/LEGAL
==============================================================================
--- head/LEGAL Tue Sep 4 15:03:13 2018 (r478965)
+++ head/LEGAL Tue Sep 4 15:05:19 2018 (r478966)
@@ -238,3 +238,4 @@ sas2ircu-* sysutils/sas2ircu May not be redistributed
snes9x-* emulators/snes9x-gtk Commercial users must seek permission from copyright holders.
rainloop-1.*.zip mail/rainloop Redistribution in any form is prohibited
lha-114i.tar.gz archivers/lha Binary only redistribution is prohibited. Non-network redistribution such as CDROM requires prior notification to author. Commercial use whose main purpose is to provide the functions of this program is prohibited.
+atom-*.tgz science/atom Redistribution in any form is prohibited
Modified: head/science/Makefile
==============================================================================
--- head/science/Makefile Tue Sep 4 15:03:13 2018 (r478965)
+++ head/science/Makefile Tue Sep 4 15:05:19 2018 (r478966)
@@ -26,6 +26,7 @@
SUBDIR += afni
SUBDIR += aircraft-datcom
SUBDIR += antioch
+ SUBDIR += atom
SUBDIR += atompaw
SUBDIR += avogadro
SUBDIR += bddsolve
Added: head/science/atom/Makefile
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/atom/Makefile Tue Sep 4 15:05:19 2018 (r478966)
@@ -0,0 +1,39 @@
+# $FreeBSD$
+
+PORTNAME= atom
+DISTVERSION= 4.2.7-100
+CATEGORIES= science
+MASTER_SITES= https://departments.icmab.es/leem/siesta/Pseudopotentials/Code/ \
+ https://departments.icmab.es/leem/siesta/Pseudopotentials/:lic
+DISTFILES= ${DISTNAME}${EXTRACT_SUFX} atom_licence.html:lic
+EXTRACT_ONLY= ${DISTNAME}${EXTRACT_SUFX}
+
+MAINTAINER= yuri at FreeBSD.org
+COMMENT= Program for DFT calculations in atoms
+
+LICENSE= ATOM_LICENSE
+LICENSE_NAME= ATOM ACADEMIC LICENCE
+LICENSE_FILE= ${DISTDIR}/atom_licence.html
+LICENSE_PERMS= no-dist-mirror no-pkg-mirror no-pkg-mirror no-pkg-sell no-auto-accept
+
+LIB_DEPENDS= libGridXC.so:science/libgridxc \
+ libxc.so:science/libxc \
+ libxmlf90.so:textproc/xmlf90
+
+USES= fortran gmake tar:tgz
+
+MAKE_ENV= XMLF90_ROOT=${LOCALBASE} GRIDXC_ROOT=${LOCALBASE} LIBXC_ROOT=${LOCALBASE}
+MAKE_ARGS= FC=gfortran${GCC_DEFAULT} LDFLAGS="${LDFLAGS}"
+ALL_TARGET= default
+
+PLIST_FILES= bin/atm
+
+NO_PACKAGE= Redistribution in any form is prohibited
+
+post-patch:
+ @${CP} ${WRKSRC}/arch.make.sample ${WRKSRC}/arch.make
+
+do-install:
+ ${INSTALL_PROGRAM} ${WRKSRC}/atm ${STAGEDIR}${PREFIX}/bin/
+
+.include <bsd.port.mk>
Added: head/science/atom/distinfo
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/atom/distinfo Tue Sep 4 15:05:19 2018 (r478966)
@@ -0,0 +1,5 @@
+TIMESTAMP = 1536071684
+SHA256 (atom-4.2.7-100.tgz) = 266a4119e64ca398444df7bc2f5004513891f2189cba33595a1742c64f8f3edc
+SIZE (atom-4.2.7-100.tgz) = 260386
+SHA256 (atom_licence.html) = 93cc2ed5498d47c5439fcf45ea1501e4e0cadb8197aefc6235ecedd36c849d93
+SIZE (atom_licence.html) = 5673
Added: head/science/atom/files/patch-arch.make.sample
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/atom/files/patch-arch.make.sample Tue Sep 4 15:05:19 2018 (r478966)
@@ -0,0 +1,11 @@
+--- arch.make.sample.orig 2018-09-04 08:05:21 UTC
++++ arch.make.sample
+@@ -20,7 +20,7 @@ ARCH=macosx-gfortran
+ # installation trees and use the appropriate path to the .mk file.
+ #
+ include $(XMLF90_ROOT)/share/org.siesta-project/xmlf90.mk
+-include $(GRIDXC_ROOT)/gridxc.mk
++include $(GRIDXC_ROOT)/share/mk/gridxc.mk
+ #
+ # -----Compiler-dependent settings -------------------------------------
+ #
Added: head/science/atom/pkg-descr
==============================================================================
--- /dev/null 00:00:00 1970 (empty, because file is newly added)
+++ head/science/atom/pkg-descr Tue Sep 4 15:05:19 2018 (r478966)
@@ -0,0 +1,4 @@
+ATOM, a program for DFT calculations in atoms and pseudopotential
+generation, maintained by Alberto Garcia.
+
+WWW: https://departments.icmab.es/leem/siesta/
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