git: 0e679f9bd52a - main - science/ergo: Update 3.8.1 → 3.8.2
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Date: Thu, 20 Jul 2023 05:42:51 UTC
The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=0e679f9bd52af3e6a5c158b59b2ba97fd837c2d3
commit 0e679f9bd52af3e6a5c158b59b2ba97fd837c2d3
Author: Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2023-07-18 14:09:02 +0000
Commit: Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2023-07-20 05:42:41 +0000
science/ergo: Update 3.8.1 → 3.8.2
Reported by: portscout
---
science/ergo/Makefile | 9 +++------
science/ergo/distinfo | 6 +++---
science/ergo/files/patch-source_dft_fun-tester.cc | 11 -----------
.../ergo/files/patch-source_ergo__input__parser.l | 11 -----------
science/ergo/pkg-plist | 21 +++++++++++----------
5 files changed, 17 insertions(+), 41 deletions(-)
diff --git a/science/ergo/Makefile b/science/ergo/Makefile
index 4a4ed86c6ecf..c8b327b8013a 100644
--- a/science/ergo/Makefile
+++ b/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
diff --git a/science/ergo/distinfo b/science/ergo/distinfo
index 74a6f622bed1..52841398ea3a 100644
--- a/science/ergo/distinfo
+++ b/science/ergo/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1689393363
-SHA256 (ergo-3.8.1.tar.gz) = 1359b0df1bf60a441990a4f99590572867529c6fe2055ea1a724a2564bebd730
-SIZE (ergo-3.8.1.tar.gz) = 3473872
+TIMESTAMP = 1689826854
+SHA256 (ergo-3.8.2.tar.gz) = 534355444119f0723443465c6f0bd9b1803be8f58c87b6ea8031b5b9a51cd357
+SIZE (ergo-3.8.2.tar.gz) = 3472124
diff --git a/science/ergo/files/patch-source_dft_fun-tester.cc b/science/ergo/files/patch-source_dft_fun-tester.cc
deleted file mode 100644
index 4fcaf22acbe3..000000000000
--- a/science/ergo/files/patch-source_dft_fun-tester.cc
+++ /dev/null
@@ -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>
diff --git a/science/ergo/files/patch-source_ergo__input__parser.l b/science/ergo/files/patch-source_ergo__input__parser.l
deleted file mode 100644
index 7f895f71c2dd..000000000000
--- a/science/ergo/files/patch-source_ergo__input__parser.l
+++ /dev/null
@@ -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);
diff --git a/science/ergo/pkg-plist b/science/ergo/pkg-plist
index 1f38f378235a..3f3b83a1c3b7 100644
--- a/science/ergo/pkg-plist
+++ b/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