science/ergo: Update 3.8.1 → 3.8.2

Reported by:	portscout

science/ergo/Makefile

@@ -1,5 +1,5 @@
 PORTNAME=	ergo
-DISTVERSION=	3.8.1
+DISTVERSION=	3.8.2
 CATEGORIES=	science
 MASTER_SITES=	http://www.ergoscf.org/source/tarfiles/
 
@@ -15,20 +15,17 @@ LIB_DEPENDS=	libblas.so:math/blas \
 TEST_DEPENDS=	bash:shells/bash
 
 USES=		compiler:c++11-lang gmake localbase shebangfix
-USE_CXXSTD=	c++14 # fix build broken by deprecated feature std::random_shuffle, reported to info to ergoscf.org
 
 SHEBANG_FILES=	test/check_eigenvectors.sh test/compare_homo_lumo.sh
 
 GNU_CONFIGURE=	yes
 
-CONFLICTS_INSTALL=	ergo-irc-server # bin/ergo
-
 TEST_TARGET=	check
 
+CONFLICTS_INSTALL=	ergo-irc-server # bin/ergo
+
 OPTIONS_DEFINE_amd64=	SSE
 OPTIONS_DEFINE_i386=	SSE
-OPTIONS_DEFAULT_amd64=	SSE
-OPTIONS_DEFAULT_i386=	SSE
 
 SSE_CONFIGURE_ENABLE=	sse-intrinsics
 

science/ergo/distinfo

@@ -1,3 +1,3 @@
-TIMESTAMP = 1689393363
+TIMESTAMP = 1689826854
-SHA256 (ergo-3.8.1.tar.gz) = 1359b0df1bf60a441990a4f99590572867529c6fe2055ea1a724a2564bebd730
+SHA256 (ergo-3.8.2.tar.gz) = 534355444119f0723443465c6f0bd9b1803be8f58c87b6ea8031b5b9a51cd357
-SIZE (ergo-3.8.1.tar.gz) = 3473872
+SIZE (ergo-3.8.2.tar.gz) = 3472124

science/ergo/files/patch-source_dft_fun-tester.cc

@@ -1,11 +0,0 @@
---- source/dft/fun-tester.cc.orig	2020-05-14 00:03:22 UTC
-+++ source/dft/fun-tester.cc
-@@ -42,7 +42,7 @@
-    the TEST_BUILD. 
-  */
- 
--#define _POSIX_SOURCE 1
-+//#define _POSIX_SOURCE 1
- 
- #define __CVERSION__
- #include <cmath>

science/ergo/files/patch-source_ergo__input__parser.l

@@ -1,11 +0,0 @@
---- source/ergo_input_parser.l.orig	2020-05-14 00:05:15 UTC
-+++ source/ergo_input_parser.l
-@@ -32,7 +32,7 @@ static int yyget_debug(void);
- static void yyset_debug(int  bdebug);
- static int yylex_destroy(void);
- */
--extern int fileno(FILE *stream);
-+//extern int fileno(FILE *stream);
- /* Following needed for flex-2.5.33-5 as in F7. */
- void yyset_lineno (int  line_number );
- int yyget_lineno  (void);

science/ergo/pkg-plist

@@ -8,6 +8,7 @@ bin/ergo
 %%DATADIR%%/basis/6-31++Gs
 %%DATADIR%%/basis/6-31++Gss
 %%DATADIR%%/basis/6-31+G
+%%DATADIR%%/basis/6-311++G_2d,2p_
 %%DATADIR%%/basis/6-311++Gss
 %%DATADIR%%/basis/6-311+Gs
 %%DATADIR%%/basis/6-311G
@@ -74,27 +75,22 @@ bin/ergo
 %%DATADIR%%/basis/aug-cc-pCVQZ
 %%DATADIR%%/basis/aug-cc-pCVTZ
 %%DATADIR%%/basis/aug-cc-pCVTZ-CTOCD-uc
-%%DATADIR%%/basis/aug-cc-pV(5+d)Z
-%%DATADIR%%/basis/aug-cc-pV(6+d)Z
-%%DATADIR%%/basis/aug-cc-pV(D+d)Z
-%%DATADIR%%/basis/aug-cc-pV(Q+d)Z
-%%DATADIR%%/basis/aug-cc-pV(T+d)Z
 %%DATADIR%%/basis/aug-cc-pV5Z
 %%DATADIR%%/basis/aug-cc-pV6Z
 %%DATADIR%%/basis/aug-cc-pVDZ
 %%DATADIR%%/basis/aug-cc-pVQZ
 %%DATADIR%%/basis/aug-cc-pVTZ
 %%DATADIR%%/basis/aug-cc-pVTZ-J
+%%DATADIR%%/basis/aug-cc-pV_5+d_Z
+%%DATADIR%%/basis/aug-cc-pV_6+d_Z
+%%DATADIR%%/basis/aug-cc-pV_D+d_Z
+%%DATADIR%%/basis/aug-cc-pV_Q+d_Z
+%%DATADIR%%/basis/aug-cc-pV_T+d_Z
 %%DATADIR%%/basis/aug-pV7Z
 %%DATADIR%%/basis/cc-pCV5Z
 %%DATADIR%%/basis/cc-pCVDZ
 %%DATADIR%%/basis/cc-pCVQZ
 %%DATADIR%%/basis/cc-pCVTZ
-%%DATADIR%%/basis/cc-pV(5+d)Z
-%%DATADIR%%/basis/cc-pV(6+d)Z
-%%DATADIR%%/basis/cc-pV(D+d)Z
-%%DATADIR%%/basis/cc-pV(Q+d)Z
-%%DATADIR%%/basis/cc-pV(T+d)Z
 %%DATADIR%%/basis/cc-pV5Z
 %%DATADIR%%/basis/cc-pV5Z-DK
 %%DATADIR%%/basis/cc-pV5Zdenfit
@@ -107,6 +103,11 @@ bin/ergo
 %%DATADIR%%/basis/cc-pVTZ
 %%DATADIR%%/basis/cc-pVTZ-DK
 %%DATADIR%%/basis/cc-pVTZdenfit
+%%DATADIR%%/basis/cc-pV_5+d_Z
+%%DATADIR%%/basis/cc-pV_6+d_Z
+%%DATADIR%%/basis/cc-pV_D+d_Z
+%%DATADIR%%/basis/cc-pV_Q+d_Z
+%%DATADIR%%/basis/cc-pV_T+d_Z
 %%DATADIR%%/basis/cc-pwCV5Z
 %%DATADIR%%/basis/cc-pwCVDZ
 %%DATADIR%%/basis/cc-pwCVQZ